ethyl 3-acetamido-6-nitro-4-(phenylmethylsulfanyl)-1-benzothiophene-2-carboxylate

Systemtic Name: ethyl 3-acetamido-6-nitro-4-(phenylmethylsulfanyl)-1-benzothiophene-2-carboxylate Openeye Name: ethyl 3-acetamido-4-benzylsulfanyl-6-nitro-benzothiophene-2-carboxylate CAS Name: 3-acetamido-6-nitro-4-(phenylmethylthio)-1-benzothiophene-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-acetamido-4-benzylsulfanyl-6-nitro-1-benzothiophene-2-carboxylate Traditional Name: 3-acetamido-4-(benzylthio)-6-nitro-benzothiophene-2-carboxylic acid ethyl ester Formula: C20H18N2O5S2 MolecularWeight: 430.49732

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(S1)C=C(C=C2SCC3=CC=CC=C3)[N+](=O)[O-])NC(=O)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(S1)C=C(C=C2SCC3=CC=CC=C3)[N+](=O)[O-])NC(=O)C

InChI

InChI=1S/C20H18N2O5S2/c1-3-27-20(24)19-18(21-12(2)23)17-15(28-11-13-7-5-4-6-8-13)9-14(22(25)26)10-16(17)29-19/h4-10H,3,11H2,1-2H3,(H,21,23)