2-[[4-(2-methylsulfanylphenyl)-2-(trifluoromethyl)phenyl]carbamoyl]pyrrolidine-1-carboxylic acid

Systemtic Name: 2-[[4-(2-methylsulfanylphenyl)-2-(trifluoromethyl)phenyl]carbamoyl]pyrrolidine-1-carboxylic acid Openeye Name: 2-[[4-(2-methylsulfanylphenyl)-2-(trifluoromethyl)phenyl]carbamoyl]pyrrolidine-1-carboxylic acid CAS Name: 2-[[4-[2-(methylthio)phenyl]-2-(trifluoromethyl)anilino]-oxomethyl]-1-pyrrolidinecarboxylic acid IUPAC Name: 2-[[4-(2-methylsulfanylphenyl)-2-(trifluoromethyl)phenyl]carbamoyl]pyrrolidine-1-carboxylic acid Traditional Name: 2-[[4-[2-(methylthio)phenyl]-2-(trifluoromethyl)phenyl]carbamoyl]pyrrolidine-1-carboxylic acid Formula: C20H19F3N2O3S MolecularWeight: 424.43667

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1C2=CC(=C(C=C2)NC(=O)C3CCCN3C(=O)O)C(F)(F)F

Isomeric SMILES

CSC1=CC=CC=C1C2=CC(=C(C=C2)NC(=O)C3CCCN3C(=O)O)C(F)(F)F

InChI

InChI=1S/C20H19F3N2O3S/c1-29-17-7-3-2-5-13(17)12-8-9-15(14(11-12)20(21,22)23)24-18(26)16-6-4-10-25(16)19(27)28/h2-3,5,7-9,11,16H,4,6,10H2,1H3,(H,24,26)(H,27,28)