N-[4-acetamido-2-(trifluoromethyl)phenyl]-1-(4-methylsulfanylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxamide

Systemtic Name: N-[4-acetamido-2-(trifluoromethyl)phenyl]-1-(4-methylsulfanylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxamide Openeye Name: N-[4-acetamido-2-(trifluoromethyl)phenyl]-1-(4-methylsulfanylphenyl)-5-oxo-pyrrolidine-3-carboxamide CAS Name: N-[4-acetamido-2-(trifluoromethyl)phenyl]-1-[4-(methylthio)phenyl]-5-oxo-3-pyrrolidinecarboxamide IUPAC Name: N-[4-acetamido-2-(trifluoromethyl)phenyl]-1-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide Traditional Name: N-[4-acetamido-2-(trifluoromethyl)phenyl]-5-keto-1-[4-(methylthio)phenyl]pyrrolidine-3-carboxamide Formula: C21H20F3N3O3S MolecularWeight: 451.46201

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=C(C=C1)NC(=O)C2CC(=O)N(C2)C3=CC=C(C=C3)SC)C(F)(F)F

Isomeric SMILES

CC(=O)NC1=CC(=C(C=C1)NC(=O)C2CC(=O)N(C2)C3=CC=C(C=C3)SC)C(F)(F)F

InChI

InChI=1S/C21H20F3N3O3S/c1-12(28)25-14-3-8-18(17(10-14)21(22,23)24)26-20(30)13-9-19(29)27(11-13)15-4-6-16(31-2)7-5-15/h3-8,10,13H,9,11H2,1-2H3,(H,25,28)(H,26,30)