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

Systemtic Name: 2-(propanoylamino)-5-[2-(trifluoromethyl)phenyl]sulfanyl-benzoic acid Openeye Name: 2-(propanoylamino)-5-[2-(trifluoromethyl)phenyl]sulfanyl-benzoic acid CAS Name: 2-(1-oxopropylamino)-5-[[2-(trifluoromethyl)phenyl]thio]benzoic acid IUPAC Name: 2-(propanoylamino)-5-[2-(trifluoromethyl)phenyl]sulfanylbenzoic acid Traditional Name: 2-propionamido-5-[[2-(trifluoromethyl)phenyl]thio]benzoic acid Formula: C17H14F3NO3S MolecularWeight: 369.35817

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=C(C=C(C=C1)SC2=CC=CC=C2C(F)(F)F)C(=O)O

Isomeric SMILES

CCC(=O)NC1=C(C=C(C=C1)SC2=CC=CC=C2C(F)(F)F)C(=O)O

InChI

InChI=1S/C17H14F3NO3S/c1-2-15(22)21-13-8-7-10(9-11(13)16(23)24)25-14-6-4-3-5-12(14)17(18,19)20/h3-9H,2H2,1H3,(H,21,22)(H,23,24)