(2R)-N-(2-methylsulfanylphenyl)-1-[(E)-4,4,4-tris(fluoranyl)-3-oxidanylidene-but-1-enyl]pyrrolidine-2-carboxamide

Systemtic Name: (2R)-N-(2-methylsulfanylphenyl)-1-[(E)-4,4,4-tris(fluoranyl)-3-oxidanylidene-but-1-enyl]pyrrolidine-2-carboxamide Openeye Name: (2R)-N-(2-methylsulfanylphenyl)-1-[(E)-4,4,4-trifluoro-3-oxo-but-1-enyl]pyrrolidine-2-carboxamide CAS Name: (2R)-N-[2-(methylthio)phenyl]-1-[(E)-4,4,4-trifluoro-3-oxobut-1-enyl]-2-pyrrolidinecarboxamide IUPAC Name: (2R)-N-(2-methylsulfanylphenyl)-1-[(E)-4,4,4-trifluoro-3-oxobut-1-enyl]pyrrolidine-2-carboxamide Traditional Name: (2R)-N-[2-(methylthio)phenyl]-1-[(E)-4,4,4-trifluoro-3-keto-but-1-enyl]pyrrolidine-2-carboxamide Formula: C16H17F3N2O2S MolecularWeight: 358.37859

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1NC(=O)C2CCCN2C=CC(=O)C(F)(F)F

Isomeric SMILES

CSC1=CC=CC=C1NC(=O)[C@H]2CCCN2/C=C/C(=O)C(F)(F)F

InChI

InChI=1S/C16H17F3N2O2S/c1-24-13-7-3-2-5-11(13)20-15(23)12-6-4-9-21(12)10-8-14(22)16(17,18)19/h2-3,5,7-8,10,12H,4,6,9H2,1H3,(H,20,23)/b10-8+/t12-/m1/s1