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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CN(C)C(=O)C2=CC3=C(C=C2)SCCC(=O)N3)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)CN(C)C(=O)C2=CC3=C(C=C2)SCCC(=O)N3)OC

InChI

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