N-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-N-cyclopropyl-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide

Systemtic Name: N-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-N-cyclopropyl-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Openeye Name: N-[(2-chloro-6-fluoro-phenyl)methyl]-N-cyclopropyl-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide CAS Name: N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide IUPAC Name: N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Traditional Name: N-(2-chloro-6-fluoro-benzyl)-N-cyclopropyl-4-keto-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Formula: C20H18ClFN2O2S MolecularWeight: 404.885523

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N(CC2=C(C=CC=C2Cl)F)C(=O)C3=CC4=C(C=C3)SCCC(=O)N4

Isomeric SMILES

C1CC1N(CC2=C(C=CC=C2Cl)F)C(=O)C3=CC4=C(C=C3)SCCC(=O)N4

InChI

InChI=1S/C20H18ClFN2O2S/c21-15-2-1-3-16(22)14(15)11-24(13-5-6-13)20(26)12-4-7-18-17(10-12)23-19(25)8-9-27-18/h1-4,7,10,13H,5-6,8-9,11H2,(H,23,25)