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

Systemtic Name: (4,5-dimethoxy-2-methyl-phenyl)methyl 4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxylate Openeye Name: (4,5-dimethoxy-2-methyl-phenyl)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 (4,5-dimethoxy-2-methylphenyl)methyl ester IUPAC Name: (4,5-dimethoxy-2-methylphenyl)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 (4,5-dimethoxy-2-methyl-benzyl) ester Formula: C20H21NO5S MolecularWeight: 387.44944

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1COC(=O)C2=CC3=C(C=C2)SCCC(=O)N3)OC)OC

Isomeric SMILES

CC1=CC(=C(C=C1COC(=O)C2=CC3=C(C=C2)SCCC(=O)N3)OC)OC

InChI

InChI=1S/C20H21NO5S/c1-12-8-16(24-2)17(25-3)10-14(12)11-26-20(23)13-4-5-18-15(9-13)21-19(22)6-7-27-18/h4-5,8-10H,6-7,11H2,1-3H3,(H,21,22)