ethyl 2-(4-methylphenyl)-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-3-carboxylate

Systemtic Name: ethyl 2-(4-methylphenyl)-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-3-carboxylate Openeye Name: ethyl 4-oxo-2-(p-tolyl)-3,5-dihydro-2H-1,5-benzothiazepine-3-carboxylate CAS Name: 2-(4-methylphenyl)-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(4-methylphenyl)-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-3-carboxylate Traditional Name: 4-keto-2-(p-tolyl)-3,5-dihydro-2H-1,5-benzothiazepine-3-carboxylic acid ethyl ester Formula: C19H19NO3S MolecularWeight: 341.42406

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(SC2=CC=CC=C2NC1=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCOC(=O)C1C(SC2=CC=CC=C2NC1=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C19H19NO3S/c1-3-23-19(22)16-17(13-10-8-12(2)9-11-13)24-15-7-5-4-6-14(15)20-18(16)21/h4-11,16-17H,3H2,1-2H3,(H,20,21)