
 AC1OWPG0

 43 45  0  0  0  0  0  0  0  0999 V2000
    3.7913    2.9787    3.4280 C   0  0  0  0  0
    4.7410    4.1166    3.0874 C   0  0  0  0  0
    5.8170    3.6649    2.2533 O   0  0  0  0  0
    5.5196    3.5059    0.9361 C   0  0  0  0  0
    4.4129    3.7287    0.4531 O   0  0  0  0  0
    6.6264    2.9833    0.1310 C   0  0  0  0  0
    6.8431    3.4041   -1.1730 C   0  0  0  0  0
    7.8997    2.4055   -2.0488 S   0  0  0  0  0
    8.2666    1.5005   -0.6557 C   0  0  0  0  0
    7.5431    1.9035    0.4522 C   0  0  0  0  0
    7.7385    1.2103    1.7728 C   0  0  0  0  0
    8.4171    0.0198    1.9845 C   0  0  0  0  0
    8.4113   -0.2265    3.3795 C   0  0  0  0  0
    7.7373    0.8267    3.9426 C   0  0  0  0  0
    7.3066    1.6784    2.9806 O   0  0  0  0  0
    6.3743    4.4437   -1.9444 N   0  0  0  0  0
    5.9915    5.6637   -1.4200 C   0  0  0  0  0
    6.0924    6.0037   -0.2437 O   0  0  0  0  0
    5.4453    6.6226   -2.4777 C   0  0  0  0  0
    5.7885    6.2080   -3.8062 O   0  0  0  0  0
    4.7594    5.9251   -4.6429 C   0  0  0  0  0
    3.5711    5.9732   -4.3688 O   0  0  0  0  0
    5.2768    5.5285   -5.9772 C   0  0  0  0  0
    6.6247    5.4833   -6.1765 N   0  0  0  0  0
    7.0112    5.1332   -7.4257 C   0  0  0  0  0
    6.1053    4.8285   -8.4295 C   0  0  0  0  0
    4.7674    4.8592   -8.2312 N   0  0  0  0  0
    4.3718    5.2176   -6.9824 C   0  0  0  0  0
    3.0156    3.3179    4.1210 H   0  0  0  0  0
    4.3330    2.1440    3.8856 H   0  0  0  0  0
    3.3011    2.5850    2.5324 H   0  0  0  0  0
    5.1934    4.4939    4.0113 H   0  0  0  0  0
    4.2118    4.9559    2.6212 H   0  0  0  0  0
    9.0061    0.7158   -0.7272 H   0  0  0  0  0
    8.8620   -0.6105    1.2283 H   0  0  0  0  0
    8.8510   -1.0620    3.9057 H   0  0  0  0  0
    7.4903    1.1044    4.9574 H   0  0  0  0  0
    6.6027    4.4244   -2.9330 H   0  0  0  0  0
    5.9171    7.5975   -2.3176 H   0  0  0  0  0
    4.3673    6.7272   -2.3190 H   0  0  0  0  0
    8.0809    5.1057   -7.6037 H   0  0  0  0  0
    6.4327    4.5513   -9.4258 H   0  0  0  0  0
    3.2990    5.2468   -6.8194 H   0  0  0  0  0
  1  2  1  0  0  0
  1 29  1  0  0  0
  1 30  1  0  0  0
  1 31  1  0  0  0
  2  3  1  0  0  0
  2 32  1  0  0  0
  2 33  1  0  0  0
  3  4  1  0  0  0
  4  6  1  0  0  0
  4  5  2  0  0  0
  6  7  2  0  0  0
  6 10  1  0  0  0
  7  8  1  0  0  0
  7 16  1  0  0  0
  8  9  1  0  0  0
  9 10  2  0  0  0
  9 34  1  0  0  0
 10 11  1  0  0  0
 11 12  2  0  0  0
 11 15  1  0  0  0
 12 13  1  0  0  0
 12 35  1  0  0  0
 13 14  2  0  0  0
 13 36  1  0  0  0
 14 15  1  0  0  0
 14 37  1  0  0  0
 16 17  1  0  0  0
 16 38  1  0  0  0
 17 19  1  0  0  0
 17 18  2  0  0  0
 19 20  1  0  0  0
 19 39  1  0  0  0
 19 40  1  0  0  0
 20 21  1  0  0  0
 21 23  1  0  0  0
 21 22  2  0  0  0
 23 24  2  0  0  0
 23 28  1  0  0  0
 24 25  1  0  0  0
 25 26  2  0  0  0
 25 41  1  0  0  0
 26 27  1  0  0  0
 26 42  1  0  0  0
 27 28  2  0  0  0
 28 43  1  0  0  0
M  END

>  <Chemical Name>
AC1OWPG0

>  <PubChem CID>
7985822

>  <Formula>
C18H15N3O6S

>  <Molecular Weight>
401.393000

>  <IUPAC Name>
[2-[[3-ethoxycarbonyl-4-(furan-2-yl)thiophen-2-yl]amino]-2-oxoethyl] pyrazine-2-carboxylate

>  <XlogP>
2.4

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
9

>  <Canonical SMILES>
CCOC(=O)C1=C(SC=C1C2=CC=CO2)NC(=O)COC(=O)C3=NC=CN=C3

>  <Isomeric SMILES>
CCOC(=O)C1=C(SC=C1C2=CC=CO2)NC(=O)COC(=O)C3=NC=CN=C3

>  <InChI Std. ID>
InChI=1S/C18H15N3O6S/c1-2-25-18(24)15-11(13-4-3-7-26-13)10-28-16(15)21-14(22)9-27-17(23)12-8-19-5-6-20-12/h3-8,10H,2,9H2,1H3,(H,21,22)

>  <InChI Key>
ACCWXHUEZYHVFI-UHFFFAOYSA-N

