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

Systemtic Name: N-[(2-methoxypyridin-3-yl)methyl]-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Openeye Name: N-[(2-methoxy-3-pyridyl)methyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide CAS Name: N-[(2-methoxy-3-pyridinyl)methyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide IUPAC Name: N-[(2-methoxypyridin-3-yl)methyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Traditional Name: 4-keto-N-[(2-methoxy-3-pyridyl)methyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Formula: C17H17N3O3S MolecularWeight: 343.40018

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC=N1)CNC(=O)C2=CC3=C(C=C2)SCCC(=O)N3

Isomeric SMILES

COC1=C(C=CC=N1)CNC(=O)C2=CC3=C(C=C2)SCCC(=O)N3

InChI

InChI=1S/C17H17N3O3S/c1-23-17-12(3-2-7-18-17)10-19-16(22)11-4-5-14-13(9-11)20-15(21)6-8-24-14/h2-5,7,9H,6,8,10H2,1H3,(H,19,22)(H,20,21)