N-[(2,3-dimethoxyphenyl)methyl]-N-methyl-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide

Systemtic Name: N-[(2,3-dimethoxyphenyl)methyl]-N-methyl-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Openeye Name: N-[(2,3-dimethoxyphenyl)methyl]-N-methyl-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide CAS Name: N-[(2,3-dimethoxyphenyl)methyl]-N-methyl-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide IUPAC Name: N-[(2,3-dimethoxyphenyl)methyl]-N-methyl-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Traditional Name: 4-keto-N-methyl-N-o-veratryl-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Formula: C20H22N2O4S MolecularWeight: 386.46468

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O4S/c1-22(12-14-5-4-6-16(25-2)19(14)26-3)20(24)13-7-8-17-15(11-13)21-18(23)9-10-27-17/h4-8,11H,9-10,12H2,1-3H3,(H,21,23)