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

Systemtic Name: 2-(3-methylphenoxy)ethyl 4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxylate Openeye Name: 2-(3-methylphenoxy)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-(3-methylphenoxy)ethyl ester IUPAC Name: 2-(3-methylphenoxy)ethyl 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-(3-methylphenoxy)ethyl ester Formula: C19H19NO4S MolecularWeight: 357.42346

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCCOC(=O)C2=CC3=C(C=C2)SCCC(=O)N3

Isomeric SMILES

CC1=CC(=CC=C1)OCCOC(=O)C2=CC3=C(C=C2)SCCC(=O)N3

InChI

InChI=1S/C19H19NO4S/c1-13-3-2-4-15(11-13)23-8-9-24-19(22)14-5-6-17-16(12-14)20-18(21)7-10-25-17/h2-6,11-12H,7-10H2,1H3,(H,20,21)