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

Systemtic Name: 4-oxidanylidene-N-(3,4,5-trimethoxyphenyl)-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Openeye Name: 4-oxo-N-(3,4,5-trimethoxyphenyl)-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide CAS Name: 4-oxo-N-(3,4,5-trimethoxyphenyl)-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide IUPAC Name: 4-oxo-N-(3,4,5-trimethoxyphenyl)-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Traditional Name: 4-keto-N-(3,4,5-trimethoxyphenyl)-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Formula: C19H20N2O5S MolecularWeight: 388.4375

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)NC(=O)C2=CC3=C(C=C2)SCCC(=O)N3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)NC(=O)C2=CC3=C(C=C2)SCCC(=O)N3

InChI

InChI=1S/C19H20N2O5S/c1-24-14-9-12(10-15(25-2)18(14)26-3)20-19(23)11-4-5-16-13(8-11)21-17(22)6-7-27-16/h4-5,8-10H,6-7H2,1-3H3,(H,20,23)(H,21,22)