ethyl (6S,7S)-2-acetamido-7-oxidanyl-6-phenylsulfanyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl (6S,7S)-2-acetamido-7-oxidanyl-6-phenylsulfanyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl (6S,7S)-2-acetamido-7-hydroxy-6-phenylsulfanyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: (6S,7S)-2-acetamido-7-hydroxy-6-(phenylthio)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl (6S,7S)-2-acetamido-7-hydroxy-6-phenylsulfanyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: (6S,7S)-2-acetamido-7-hydroxy-6-(phenylthio)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C19H21NO4S2 MolecularWeight: 391.50434

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCC(C2O)SC3=CC=CC=C3)NC(=O)C

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CC[C@@H]([C@@H]2O)SC3=CC=CC=C3)NC(=O)C

InChI

InChI=1S/C19H21NO4S2/c1-3-24-19(23)15-13-9-10-14(25-12-7-5-4-6-8-12)16(22)17(13)26-18(15)20-11(2)21/h4-8,14,16,22H,3,9-10H2,1-2H3,(H,20,21)/t14-,16-/m0/s1