N-(6-methoxypyridin-3-yl)-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide

Systemtic Name: N-(6-methoxypyridin-3-yl)-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Openeye Name: N-(6-methoxy-3-pyridyl)-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide CAS Name: N-(6-methoxy-3-pyridinyl)-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide IUPAC Name: N-(6-methoxypyridin-3-yl)-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Traditional Name: 4-keto-N-(6-methoxy-3-pyridyl)-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Formula: C16H15N3O3S MolecularWeight: 329.3736

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15N3O3S/c1-22-15-5-3-11(9-17-15)18-16(21)10-2-4-13-12(8-10)19-14(20)6-7-23-13/h2-5,8-9H,6-7H2,1H3,(H,18,21)(H,19,20)