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

Systemtic Name: 2-(propanoylamino)-5-[[2-(trifluoromethyl)phenyl]sulfanylmethyl]benzoic acid Openeye Name: 2-(propanoylamino)-5-[[2-(trifluoromethyl)phenyl]sulfanylmethyl]benzoic acid CAS Name: 2-(1-oxopropylamino)-5-[[[2-(trifluoromethyl)phenyl]thio]methyl]benzoic acid IUPAC Name: 2-(propanoylamino)-5-[[2-(trifluoromethyl)phenyl]sulfanylmethyl]benzoic acid Traditional Name: 2-propionamido-5-[[[2-(trifluoromethyl)phenyl]thio]methyl]benzoic acid Formula: C18H16F3NO3S MolecularWeight: 383.38475

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=C(C=C(C=C1)CSC2=CC=CC=C2C(F)(F)F)C(=O)O

Isomeric SMILES

CCC(=O)NC1=C(C=C(C=C1)CSC2=CC=CC=C2C(F)(F)F)C(=O)O

InChI

InChI=1S/C18H16F3NO3S/c1-2-16(23)22-14-8-7-11(9-12(14)17(24)25)10-26-15-6-4-3-5-13(15)18(19,20)21/h3-9H,2,10H2,1H3,(H,22,23)(H,24,25)