4-oxidanylidene-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide

Systemtic Name: 4-oxidanylidene-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Openeye Name: 4-oxo-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide CAS Name: 4-oxo-N-[2-(1-pyrrolidinyl)-5-(trifluoromethyl)phenyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide IUPAC Name: 4-oxo-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Traditional Name: 4-keto-N-[2-pyrrolidino-5-(trifluoromethyl)phenyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Formula: C21H20F3N3O2S MolecularWeight: 435.46261

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)C(F)(F)F)NC(=O)C3=CC4=C(C=C3)SCCC(=O)N4

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)C(F)(F)F)NC(=O)C3=CC4=C(C=C3)SCCC(=O)N4

InChI

InChI=1S/C21H20F3N3O2S/c22-21(23,24)14-4-5-17(27-8-1-2-9-27)15(12-14)26-20(29)13-3-6-18-16(11-13)25-19(28)7-10-30-18/h3-6,11-12H,1-2,7-10H2,(H,25,28)(H,26,29)