[2-(4-ethylphenyl)-2-oxidanylidene-ethyl] 4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxylate

Systemtic Name: [2-(4-ethylphenyl)-2-oxidanylidene-ethyl] 4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxylate Openeye Name: [2-(4-ethylphenyl)-2-oxo-ethyl] 4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxylate CAS Name: 4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxylic acid [2-(4-ethylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-ethylphenyl)-2-oxoethyl] 4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxylate Traditional Name: 4-keto-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxylic acid [2-(4-ethylphenyl)-2-keto-ethyl] ester Formula: C20H19NO4S MolecularWeight: 369.43416

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)COC(=O)C2=CC3=C(C=C2)SCCC(=O)N3

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)COC(=O)C2=CC3=C(C=C2)SCCC(=O)N3

InChI

InChI=1S/C20H19NO4S/c1-2-13-3-5-14(6-4-13)17(22)12-25-20(24)15-7-8-18-16(11-15)21-19(23)9-10-26-18/h3-8,11H,2,9-10,12H2,1H3,(H,21,23)