2-[2-methyl-8-(trifluoromethyl)quinolin-4-yl]sulfanylethanoic acid

Systemtic Name: 2-[2-methyl-8-(trifluoromethyl)quinolin-4-yl]sulfanylethanoic acid Openeye Name: 2-[[2-methyl-8-(trifluoromethyl)-4-quinolyl]sulfanyl]acetic acid CAS Name: 2-[[2-methyl-8-(trifluoromethyl)-4-quinolinyl]thio]acetic acid IUPAC Name: 2-[2-methyl-8-(trifluoromethyl)quinolin-4-yl]sulfanylacetic acid Traditional Name: 2-[[2-methyl-8-(trifluoromethyl)-4-quinolyl]thio]acetic acid Formula: C13H10F3NO2S MolecularWeight: 301.28421

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=CC=C2C(F)(F)F)C(=C1)SCC(=O)O

Isomeric SMILES

CC1=NC2=C(C=CC=C2C(F)(F)F)C(=C1)SCC(=O)O

InChI

InChI=1S/C13H10F3NO2S/c1-7-5-10(20-6-11(18)19)8-3-2-4-9(12(8)17-7)13(14,15)16/h2-5H,6H2,1H3,(H,18,19)