5-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-N-cyclopentyl-6-oxidanylidene-benzo[b][1,4]benzothiazepine-3-carboxamide

Systemtic Name: 5-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-N-cyclopentyl-6-oxidanylidene-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: 5-[(2-chloro-6-fluoro-phenyl)methyl]-N-cyclopentyl-6-oxo-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: 5-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopentyl-6-oxo-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: 5-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopentyl-6-oxobenzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: 5-(2-chloro-6-fluoro-benzyl)-N-cyclopentyl-6-keto-benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C26H22ClFN2O2S MolecularWeight: 480.981483

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)NC(=O)C2=CC3=C(C=C2)SC4=CC=CC=C4C(=O)N3CC5=C(C=CC=C5Cl)F

Isomeric SMILES

C1CCC(C1)NC(=O)C2=CC3=C(C=C2)SC4=CC=CC=C4C(=O)N3CC5=C(C=CC=C5Cl)F

InChI

InChI=1S/C26H22ClFN2O2S/c27-20-9-5-10-21(28)19(20)15-30-22-14-16(25(31)29-17-6-1-2-7-17)12-13-24(22)33-23-11-4-3-8-18(23)26(30)32/h3-5,8-14,17H,1-2,6-7,15H2,(H,29,31)