[2-[(3-ethanoylphenyl)amino]-2-oxidanylidene-ethyl] (6S)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: [2-[(3-ethanoylphenyl)amino]-2-oxidanylidene-ethyl] (6S)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: [2-(3-acetylanilino)-2-oxo-ethyl] (6S)-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: (6S)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid [2-(3-acetylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-acetylanilino)-2-oxoethyl] (6S)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: (6S)-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid [2-(3-acetylanilino)-2-keto-ethyl] ester Formula: C20H21NO4S MolecularWeight: 371.45004

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC=C2C(=O)OCC(=O)NC3=CC=CC(=C3)C(=O)C

Isomeric SMILES

C[C@H]1CCC2=C(C1)SC=C2C(=O)OCC(=O)NC3=CC=CC(=C3)C(=O)C

InChI

InChI=1S/C20H21NO4S/c1-12-6-7-16-17(11-26-18(16)8-12)20(24)25-10-19(23)21-15-5-3-4-14(9-15)13(2)22/h3-5,9,11-12H,6-8,10H2,1-2H3,(H,21,23)/t12-/m0/s1