
 CHEMBL2037467

 26 28  0  0  0  0  0  0  0  0999 V2000
    0.5315    0.2346   -0.1349 C   0  0  0  0  0
    2.0082    0.1841   -0.0850 C   0  0  0  0  0
    2.8581   -0.9146   -0.1064 C   0  0  0  0  0
    4.1546   -0.4509   -0.0425 N   0  0  0  0  0
    4.1431    0.9193    0.0172 C   0  0  0  0  0
    2.8443    1.3366   -0.0029 C   0  0  0  0  0
    2.7134    3.0644    0.0737 S   0  0  0  0  0
    4.4288    3.1935    0.1192 C   0  0  0  0  0
    5.0830    1.9815    0.0850 C   0  0  0  0  0
    6.5890    1.7730    0.1072 C   0  0  0  0  0
    7.4764    2.7624   -0.6203 C   0  0  0  0  0
    7.4631    2.7476    0.8696 C   0  0  0  0  0
    2.5131   -2.3101   -0.1824 C   0  0  0  0  0
    1.4047   -2.8159   -0.2422 O   0  0  0  0  0
    3.6218   -3.0836   -0.1820 O   0  0  0  0  0
    0.1533    1.2611   -0.1585 H   0  0  0  0  0
    0.1034   -0.2596    0.7433 H   0  0  0  0  0
    0.1616   -0.2751   -1.0307 H   0  0  0  0  0
    4.9930   -1.0183   -0.0425 H   0  0  0  0  0
    4.8654    4.1808    0.1714 H   0  0  0  0  0
    6.9127    0.7366    0.0935 H   0  0  0  0  0
    7.0233    3.6035   -1.1320 H   0  0  0  0  0
    8.3528    2.3721   -1.1263 H   0  0  0  0  0
    8.3320    2.3494    1.3820 H   0  0  0  0  0
    7.0042    3.5818    1.3872 H   0  0  0  0  0
    3.2442   -3.9860   -0.2364 H   0  0  0  0  0
  1  2  1  0  0  0
  1 16  1  0  0  0
  1 17  1  0  0  0
  1 18  1  0  0  0
  2  6  1  0  0  0
  2  3  2  0  0  0
  3  4  1  0  0  0
  3 13  1  0  0  0
  4  5  1  0  0  0
  4 19  1  0  0  0
  5  6  2  0  0  0
  5  9  1  0  0  0
  6  7  1  0  0  0
  7  8  1  0  0  0
  8  9  2  0  0  0
  8 20  1  0  0  0
  9 10  1  0  0  0
 10 12  1  0  0  0
 10 11  1  0  0  0
 10 21  1  0  0  0
 11 12  1  0  0  0
 11 22  1  0  0  0
 11 23  1  0  0  0
 12 24  1  0  0  0
 12 25  1  0  0  0
 13 15  1  0  0  0
 13 14  2  0  0  0
 15 26  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL2037467

>  <PubChem CID>
70681839

>  <Formula>
C11H11NO2S

>  <Molecular Weight>
221.274000

>  <IUPAC Name>
3-cyclopropyl-6-methyl-4H-thieno[3,2-b]pyrrole-5-carboxylic acid

>  <XlogP>
3.0

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC1=C(NC2=C1SC=C2C3CC3)C(=O)O

>  <Isomeric SMILES>
CC1=C(NC2=C1SC=C2C3CC3)C(=O)O

>  <InChI Std. ID>
InChI=1S/C11H11NO2S/c1-5-8(11(13)14)12-9-7(6-2-3-6)4-15-10(5)9/h4,6,12H,2-3H2,1H3,(H,13,14)

>  <InChI Key>
FMVDSUJWEDWDQD-UHFFFAOYSA-N

