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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=C(C=C(C=C2)C(=O)NCC3=CN=CC=C3)NC1=O

Isomeric SMILES

C1CSC2=C(C=C(C=C2)C(=O)NCC3=CN=CC=C3)NC1=O

InChI

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