4-oxidanylidene-N-(2-pyridin-3-ylethyl)-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide

Systemtic Name: 4-oxidanylidene-N-(2-pyridin-3-ylethyl)-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Openeye Name: 4-oxo-N-[2-(3-pyridyl)ethyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide CAS Name: 4-oxo-N-[2-(3-pyridinyl)ethyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide IUPAC Name: 4-oxo-N-(2-pyridin-3-ylethyl)-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Traditional Name: 4-keto-N-[2-(3-pyridyl)ethyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Formula: C17H17N3O2S MolecularWeight: 327.40078

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=C(C=C(C=C2)C(=O)NCCC3=CN=CC=C3)NC1=O

Isomeric SMILES

C1CSC2=C(C=C(C=C2)C(=O)NCCC3=CN=CC=C3)NC1=O

InChI

InChI=1S/C17H17N3O2S/c21-16-6-9-23-15-4-3-13(10-14(15)20-16)17(22)19-8-5-12-2-1-7-18-11-12/h1-4,7,10-11H,5-6,8-9H2,(H,19,22)(H,20,21)