
 CHEMBL337081

 31 32  0  0  0  0  0  0  0  0999 V2000
    2.4838   -0.2558    0.9161 C   0  0  0  0  0
    3.3278    0.4517    1.9585 C   0  0  0  0  0
    3.7141    1.7476    1.4805 O   0  0  0  0  0
    4.8762    1.8053    0.7661 C   0  0  0  0  0
    5.5698    0.8273    0.5085 O   0  0  0  0  0
    5.1981    3.1739    0.3812 C   0  0  0  0  0
    6.4050    3.6568   -0.0999 C   0  0  0  0  0
    7.6759    2.8784   -0.3015 C   0  0  0  0  0
    8.8952    3.8038   -0.2328 C   0  0  0  0  0
    8.7654    4.9941   -1.1847 C   0  0  0  0  0
    7.4946    5.7962   -0.9419 C   0  0  0  0  0
    7.4302    6.9840   -1.2559 O   0  0  0  0  0
    6.3443    5.0631   -0.4091 C   0  0  0  0  0
    5.1033    5.6215   -0.1475 C   0  0  0  0  0
    4.0334    4.4254    0.4702 S   0  0  0  0  0
    4.7771    6.9413   -0.3045 N   0  0  0  0  0
    3.4285    7.1928   -0.6147 N   0  0  0  0  0
    2.1349   -1.2223    1.2905 H   0  0  0  0  0
    3.0536   -0.4210   -0.0036 H   0  0  0  0  0
    1.6148    0.3538    0.6478 H   0  0  0  0  0
    4.1995   -0.1484    2.2441 H   0  0  0  0  0
    2.7367    0.6091    2.8667 H   0  0  0  0  0
    7.7844    2.1046    0.4655 H   0  0  0  0  0
    7.6380    2.3805   -1.2777 H   0  0  0  0  0
    9.0088    4.1762    0.7944 H   0  0  0  0  0
    9.8021    3.2364   -0.4708 H   0  0  0  0  0
    8.7543    4.6515   -2.2250 H   0  0  0  0  0
    9.6253    5.6604   -1.0503 H   0  0  0  0  0
    5.4737    7.5342   -0.7845 H   0  0  0  0  0
    2.8265    6.8174    0.1231 H   0  0  0  0  0
    3.1578    6.7067   -1.4729 H   0  0  0  0  0
  1  2  1  0  0  0
  1 18  1  0  0  0
  1 19  1  0  0  0
  1 20  1  0  0  0
  2  3  1  0  0  0
  2 21  1  0  0  0
  2 22  1  0  0  0
  3  4  1  0  0  0
  4  6  1  0  0  0
  4  5  2  0  0  0
  6 15  1  0  0  0
  6  7  2  0  0  0
  7 13  1  0  0  0
  7  8  1  0  0  0
  8  9  1  0  0  0
  8 23  1  0  0  0
  8 24  1  0  0  0
  9 10  1  0  0  0
  9 25  1  0  0  0
  9 26  1  0  0  0
 10 11  1  0  0  0
 10 27  1  0  0  0
 10 28  1  0  0  0
 11 13  1  0  0  0
 11 12  2  0  0  0
 13 14  2  0  0  0
 14 15  1  0  0  0
 14 16  1  0  0  0
 16 17  1  0  0  0
 16 29  1  0  0  0
 17 30  1  0  0  0
 17 31  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL337081

>  <PubChem CID>
44353028

>  <Formula>
C11H14N2O3S

>  <Molecular Weight>
254.304000

>  <IUPAC Name>
ethyl 3-hydrazinyl-4-oxo-6,7-dihydro-5H-2-benzothiophene-1-carboxylate

>  <XlogP>
2.4

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CCOC(=O)C1=C2CCCC(=O)C2=C(S1)NN

>  <Isomeric SMILES>
CCOC(=O)C1=C2CCCC(=O)C2=C(S1)NN

>  <InChI Std. ID>
InChI=1S/C11H14N2O3S/c1-2-16-11(15)9-6-4-3-5-7(14)8(6)10(13-12)17-9/h13H,2-5,12H2,1H3

>  <InChI Key>
AVPLPANPAQGMRQ-UHFFFAOYSA-N

