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

Systemtic Name: ethyl 2-(4-methoxyphenyl)-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-3-carboxylate Openeye Name: ethyl 2-(4-methoxyphenyl)-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-3-carboxylate CAS Name: 2-(4-methoxyphenyl)-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(4-methoxyphenyl)-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-3-carboxylate Traditional Name: 4-keto-2-(4-methoxyphenyl)-3,5-dihydro-2H-1,5-benzothiazepine-3-carboxylic acid ethyl ester Formula: C19H19NO4S MolecularWeight: 357.42346

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19NO4S/c1-3-24-19(22)16-17(12-8-10-13(23-2)11-9-12)25-15-7-5-4-6-14(15)20-18(16)21/h4-11,16-17H,3H2,1-2H3,(H,20,21)