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

Systemtic Name: N-[(2-methoxypyridin-4-yl)methyl]-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Openeye Name: N-[(2-methoxy-4-pyridyl)methyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide CAS Name: N-[(2-methoxy-4-pyridinyl)methyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide IUPAC Name: N-[(2-methoxypyridin-4-yl)methyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Traditional Name: 4-keto-N-[(2-methoxy-4-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=NC=CC(=C1)CNC(=O)C2=CC3=C(C=C2)SCCC(=O)N3

Isomeric SMILES

COC1=NC=CC(=C1)CNC(=O)C2=CC3=C(C=C2)SCCC(=O)N3

InChI

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