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

Systemtic Name: N-(3,4-dimethoxyphenyl)-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Openeye Name: N-(3,4-dimethoxyphenyl)-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide CAS Name: N-(3,4-dimethoxyphenyl)-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide IUPAC Name: N-(3,4-dimethoxyphenyl)-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Traditional Name: N-(3,4-dimethoxyphenyl)-4-keto-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Formula: C18H18N2O4S MolecularWeight: 358.41152

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N2O4S/c1-23-14-5-4-12(10-15(14)24-2)19-18(22)11-3-6-16-13(9-11)20-17(21)7-8-25-16/h3-6,9-10H,7-8H2,1-2H3,(H,19,22)(H,20,21)