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

Systemtic Name: 4-oxidanylidene-N-(2-pyridin-2-ylethyl)-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Openeye Name: 4-oxo-N-[2-(2-pyridyl)ethyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide CAS Name: 4-oxo-N-[2-(2-pyridinyl)ethyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide IUPAC Name: 4-oxo-N-(2-pyridin-2-ylethyl)-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Traditional Name: 4-keto-N-[2-(2-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=CC=CC=N3)NC1=O

Isomeric SMILES

C1CSC2=C(C=C(C=C2)C(=O)NCCC3=CC=CC=N3)NC1=O

InChI

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