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

Systemtic Name: (2,5-dimethoxyphenyl)methyl 4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxylate Openeye Name: (2,5-dimethoxyphenyl)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 (2,5-dimethoxyphenyl)methyl ester IUPAC Name: (2,5-dimethoxyphenyl)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 (2,5-dimethoxybenzyl) ester Formula: C19H19NO5S MolecularWeight: 373.42286

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)COC(=O)C2=CC3=C(C=C2)SCCC(=O)N3

Isomeric SMILES

COC1=CC(=C(C=C1)OC)COC(=O)C2=CC3=C(C=C2)SCCC(=O)N3

InChI

InChI=1S/C19H19NO5S/c1-23-14-4-5-16(24-2)13(9-14)11-25-19(22)12-3-6-17-15(10-12)20-18(21)7-8-26-17/h3-6,9-10H,7-8,11H2,1-2H3,(H,20,21)