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

Systemtic Name: N-[[4-(methoxymethyl)phenyl]methyl]-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Openeye Name: N-[[4-(methoxymethyl)phenyl]methyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide CAS Name: N-[[4-(methoxymethyl)phenyl]methyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide IUPAC Name: N-[[4-(methoxymethyl)phenyl]methyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Traditional Name: 4-keto-N-[4-(methoxymethyl)benzyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Formula: C19H20N2O3S MolecularWeight: 356.4387

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Descriptors Computed from Structure

Canonical SMILES:

COCC1=CC=C(C=C1)CNC(=O)C2=CC3=C(C=C2)SCCC(=O)N3

Isomeric SMILES

COCC1=CC=C(C=C1)CNC(=O)C2=CC3=C(C=C2)SCCC(=O)N3

InChI

InChI=1S/C19H20N2O3S/c1-24-12-14-4-2-13(3-5-14)11-20-19(23)15-6-7-17-16(10-15)21-18(22)8-9-25-17/h2-7,10H,8-9,11-12H2,1H3,(H,20,23)(H,21,22)