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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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