4-oxidanylidene-N-[2,2,2-tris(fluoranyl)ethyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide

Systemtic Name: 4-oxidanylidene-N-[2,2,2-tris(fluoranyl)ethyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Openeye Name: 4-oxo-N-(2,2,2-trifluoroethyl)-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide CAS Name: 4-oxo-N-(2,2,2-trifluoroethyl)-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide IUPAC Name: 4-oxo-N-(2,2,2-trifluoroethyl)-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Traditional Name: 4-keto-N-(2,2,2-trifluoroethyl)-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Formula: C12H11F3N2O2S MolecularWeight: 304.28815

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=C(C=C(C=C2)C(=O)NCC(F)(F)F)NC1=O

Isomeric SMILES

C1CSC2=C(C=C(C=C2)C(=O)NCC(F)(F)F)NC1=O

InChI

InChI=1S/C12H11F3N2O2S/c13-12(14,15)6-16-11(19)7-1-2-9-8(5-7)17-10(18)3-4-20-9/h1-2,5H,3-4,6H2,(H,16,19)(H,17,18)