3-chloranyl-11-methyl-9-oxidanylidene-N-(pyridin-2-ylmethyl)-6-thiophen-2-yl-6,7-dihydropyrido[2,1-d][1,5]benzothiazepine-8-carboxamide

Systemtic Name: 3-chloranyl-11-methyl-9-oxidanylidene-N-(pyridin-2-ylmethyl)-6-thiophen-2-yl-6,7-dihydropyrido[2,1-d][1,5]benzothiazepine-8-carboxamide Openeye Name: 3-chloro-11-methyl-9-oxo-N-(2-pyridylmethyl)-6-(2-thienyl)-6,7-dihydropyrido[2,1-d][1,5]benzothiazepine-8-carboxamide CAS Name: 3-chloro-11-methyl-9-oxo-N-(2-pyridinylmethyl)-6-thiophen-2-yl-6,7-dihydropyrido[2,1-d][1,5]benzothiazepine-8-carboxamide IUPAC Name: 3-chloro-11-methyl-9-oxo-N-(pyridin-2-ylmethyl)-6-thiophen-2-yl-6,7-dihydropyrido[2,1-d][1,5]benzothiazepine-8-carboxamide Traditional Name: 3-chloro-9-keto-11-methyl-N-(2-pyridylmethyl)-6-(2-thienyl)-6,7-dihydropyrido[2,1-d][1,5]benzothiazepine-8-carboxamide Formula: C25H20ClN3O2S2 MolecularWeight: 494.0282

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C(=C2N1C3=C(C=C(C=C3)Cl)SC(C2)C4=CC=CS4)C(=O)NCC5=CC=CC=N5

Isomeric SMILES

CC1=CC(=O)C(=C2N1C3=C(C=C(C=C3)Cl)SC(C2)C4=CC=CS4)C(=O)NCC5=CC=CC=N5

InChI

InChI=1S/C25H20ClN3O2S2/c1-15-11-20(30)24(25(31)28-14-17-5-2-3-9-27-17)19-13-23(21-6-4-10-32-21)33-22-12-16(26)7-8-18(22)29(15)19/h2-12,23H,13-14H2,1H3,(H,28,31)