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

Systemtic Name: N-[1-(4,5-dimethoxy-2-methyl-phenyl)ethyl]-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Openeye Name: N-[1-(4,5-dimethoxy-2-methyl-phenyl)ethyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide CAS Name: N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide IUPAC Name: N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Traditional Name: N-[1-(4,5-dimethoxy-2-methyl-phenyl)ethyl]-4-keto-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Formula: C21H24N2O4S MolecularWeight: 400.49126

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(C)NC(=O)C2=CC3=C(C=C2)SCCC(=O)N3)OC)OC

Isomeric SMILES

CC1=CC(=C(C=C1C(C)NC(=O)C2=CC3=C(C=C2)SCCC(=O)N3)OC)OC

InChI

InChI=1S/C21H24N2O4S/c1-12-9-17(26-3)18(27-4)11-15(12)13(2)22-21(25)14-5-6-19-16(10-14)23-20(24)7-8-28-19/h5-6,9-11,13H,7-8H2,1-4H3,(H,22,25)(H,23,24)