ethyl 2-acetamido-7-oxidanyl-6-(phenylsulfanylmethyl)-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-acetamido-7-oxidanyl-6-(phenylsulfanylmethyl)-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-acetamido-7-hydroxy-6-(phenylsulfanylmethyl)benzothiophene-3-carboxylate CAS Name: 2-acetamido-7-hydroxy-6-[(phenylthio)methyl]-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-acetamido-7-hydroxy-6-(phenylsulfanylmethyl)-1-benzothiophene-3-carboxylate Traditional Name: 2-acetamido-7-hydroxy-6-[(phenylthio)methyl]benzothiophene-3-carboxylic acid ethyl ester Formula: C20H19NO4S2 MolecularWeight: 401.49916

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1C=CC(=C2O)CSC3=CC=CC=C3)NC(=O)C

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1C=CC(=C2O)CSC3=CC=CC=C3)NC(=O)C

InChI

InChI=1S/C20H19NO4S2/c1-3-25-20(24)16-15-10-9-13(11-26-14-7-5-4-6-8-14)17(23)18(15)27-19(16)21-12(2)22/h4-10,23H,3,11H2,1-2H3,(H,21,22)