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

Systemtic Name: 4-oxidanylidene-N-(pyridin-2-ylmethyl)-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Openeye Name: 4-oxo-N-(2-pyridylmethyl)-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide CAS Name: 4-oxo-N-(2-pyridinylmethyl)-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide IUPAC Name: 4-oxo-N-(pyridin-2-ylmethyl)-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Traditional Name: 4-keto-N-(2-pyridylmethyl)-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Formula: C16H15N3O2S MolecularWeight: 313.3742

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=C(C=C(C=C2)C(=O)NCC3=CC=CC=N3)NC1=O

Isomeric SMILES

C1CSC2=C(C=C(C=C2)C(=O)NCC3=CC=CC=N3)NC1=O

InChI

InChI=1S/C16H15N3O2S/c20-15-6-8-22-14-5-4-11(9-13(14)19-15)16(21)18-10-12-3-1-2-7-17-12/h1-5,7,9H,6,8,10H2,(H,18,21)(H,19,20)