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

Systemtic Name: N-[(3,4-dimethoxyphenyl)methyl]-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Openeye Name: N-[(3,4-dimethoxyphenyl)methyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide CAS Name: N-[(3,4-dimethoxyphenyl)methyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide IUPAC Name: N-[(3,4-dimethoxyphenyl)methyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Traditional Name: 4-keto-N-veratryl-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Formula: C19H20N2O4S MolecularWeight: 372.4381

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N2O4S/c1-24-15-5-3-12(9-16(15)25-2)11-20-19(23)13-4-6-17-14(10-13)21-18(22)7-8-26-17/h3-6,9-10H,7-8,11H2,1-2H3,(H,20,23)(H,21,22)