(2-ethoxyphenyl)methyl 4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1COC(=O)C2=CC3=C(C=C2)SCCC(=O)N3

Isomeric SMILES

CCOC1=CC=CC=C1COC(=O)C2=CC3=C(C=C2)SCCC(=O)N3

InChI

InChI=1S/C19H19NO4S/c1-2-23-16-6-4-3-5-14(16)12-24-19(22)13-7-8-17-15(11-13)20-18(21)9-10-25-17/h3-8,11H,2,9-10,12H2,1H3,(H,20,21)