1-[2-[3-(trifluoromethyl)phenyl]sulfanylethyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[2-[3-(trifluoromethyl)phenyl]sulfanylethyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[2-[3-(trifluoromethyl)phenyl]sulfanylethyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[2-[[3-(trifluoromethyl)phenyl]thio]ethyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[2-[3-(trifluoromethyl)phenyl]sulfanylethyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[2-[[3-(trifluoromethyl)phenyl]thio]ethyl]proline Formula: C14H16F3NO2S MolecularWeight: 319.34255

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)CCSC2=CC=CC(=C2)C(F)(F)F)C(=O)O

Isomeric SMILES

C1CC(N(C1)CCSC2=CC=CC(=C2)C(F)(F)F)C(=O)O

InChI

InChI=1S/C14H16F3NO2S/c15-14(16,17)10-3-1-4-11(9-10)21-8-7-18-6-2-5-12(18)13(19)20/h1,3-4,9,12H,2,5-8H2,(H,19,20)