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

Systemtic Name: N-(2-butoxy-5-methoxy-phenyl)-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Openeye Name: N-(2-butoxy-5-methoxy-phenyl)-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide CAS Name: N-(2-butoxy-5-methoxyphenyl)-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide IUPAC Name: N-(2-butoxy-5-methoxyphenyl)-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Traditional Name: N-(2-butoxy-5-methoxy-phenyl)-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:

CCCCOC1=C(C=C(C=C1)OC)NC(=O)C2=CC3=C(C=C2)SCCC(=O)N3

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)OC)NC(=O)C2=CC3=C(C=C2)SCCC(=O)N3

InChI

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