3-methyl-4-[2-[3-(trifluoromethyl)phenyl]sulfanylethanoylamino]benzoic acid

Systemtic Name: 3-methyl-4-[2-[3-(trifluoromethyl)phenyl]sulfanylethanoylamino]benzoic acid Openeye Name: 3-methyl-4-[[2-[3-(trifluoromethyl)phenyl]sulfanylacetyl]amino]benzoic acid CAS Name: 3-methyl-4-[[1-oxo-2-[[3-(trifluoromethyl)phenyl]thio]ethyl]amino]benzoic acid IUPAC Name: 3-methyl-4-[[2-[3-(trifluoromethyl)phenyl]sulfanylacetyl]amino]benzoic acid Traditional Name: 3-methyl-4-[[2-[[3-(trifluoromethyl)phenyl]thio]acetyl]amino]benzoic acid Formula: C17H14F3NO3S MolecularWeight: 369.35817

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)O)NC(=O)CSC2=CC=CC(=C2)C(F)(F)F

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)O)NC(=O)CSC2=CC=CC(=C2)C(F)(F)F

InChI

InChI=1S/C17H14F3NO3S/c1-10-7-11(16(23)24)5-6-14(10)21-15(22)9-25-13-4-2-3-12(8-13)17(18,19)20/h2-8H,9H2,1H3,(H,21,22)(H,23,24)