2-[2-methyl-7-(trifluoromethyl)quinolin-4-yl]sulfanylethanoic acid

Systemtic Name: 2-[2-methyl-7-(trifluoromethyl)quinolin-4-yl]sulfanylethanoic acid Openeye Name: 2-[[2-methyl-7-(trifluoromethyl)-4-quinolyl]sulfanyl]acetic acid CAS Name: 2-[[2-methyl-7-(trifluoromethyl)-4-quinolinyl]thio]acetic acid IUPAC Name: 2-[2-methyl-7-(trifluoromethyl)quinolin-4-yl]sulfanylacetic acid Traditional Name: 2-[[2-methyl-7-(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(=C2)C(F)(F)F)C(=C1)SCC(=O)O

Isomeric SMILES

CC1=NC2=C(C=CC(=C2)C(F)(F)F)C(=C1)SCC(=O)O

InChI

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