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

Systemtic Name: 2-(propanoylamino)-5-[2-(trifluoromethyloxy)phenyl]sulfanyl-benzoic acid Openeye Name: 2-(propanoylamino)-5-[2-(trifluoromethoxy)phenyl]sulfanyl-benzoic acid CAS Name: 2-(1-oxopropylamino)-5-[[2-(trifluoromethoxy)phenyl]thio]benzoic acid IUPAC Name: 2-(propanoylamino)-5-[2-(trifluoromethoxy)phenyl]sulfanylbenzoic acid Traditional Name: 2-propionamido-5-[[2-(trifluoromethoxy)phenyl]thio]benzoic acid Formula: C17H14F3NO4S MolecularWeight: 385.35757

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=C(C=C(C=C1)SC2=CC=CC=C2OC(F)(F)F)C(=O)O

Isomeric SMILES

CCC(=O)NC1=C(C=C(C=C1)SC2=CC=CC=C2OC(F)(F)F)C(=O)O

InChI

InChI=1S/C17H14F3NO4S/c1-2-15(22)21-12-8-7-10(9-11(12)16(23)24)26-14-6-4-3-5-13(14)25-17(18,19)20/h3-9H,2H2,1H3,(H,21,22)(H,23,24)