2-(propanoylamino)-5-[[2-(trifluoromethyloxy)phenyl]sulfanylmethyl]benzoic acid

Systemtic Name: 2-(propanoylamino)-5-[[2-(trifluoromethyloxy)phenyl]sulfanylmethyl]benzoic acid Openeye Name: 2-(propanoylamino)-5-[[2-(trifluoromethoxy)phenyl]sulfanylmethyl]benzoic acid CAS Name: 2-(1-oxopropylamino)-5-[[[2-(trifluoromethoxy)phenyl]thio]methyl]benzoic acid IUPAC Name: 2-(propanoylamino)-5-[[2-(trifluoromethoxy)phenyl]sulfanylmethyl]benzoic acid Traditional Name: 2-propionamido-5-[[[2-(trifluoromethoxy)phenyl]thio]methyl]benzoic acid Formula: C18H16F3NO4S MolecularWeight: 399.38415

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=C(C=C(C=C1)CSC2=CC=CC=C2OC(F)(F)F)C(=O)O

Isomeric SMILES

CCC(=O)NC1=C(C=C(C=C1)CSC2=CC=CC=C2OC(F)(F)F)C(=O)O

InChI

InChI=1S/C18H16F3NO4S/c1-2-16(23)22-13-8-7-11(9-12(13)17(24)25)10-27-15-6-4-3-5-14(15)26-18(19,20)21/h3-9H,2,10H2,1H3,(H,22,23)(H,24,25)