2-[[2-(4-fluorophenyl)-8-(trifluoromethyl)quinolin-4-yl]carbothioyl-methyl-amino]ethanoic acid

Systemtic Name: 2-[[2-(4-fluorophenyl)-8-(trifluoromethyl)quinolin-4-yl]carbothioyl-methyl-amino]ethanoic acid Openeye Name: 2-[[2-(4-fluorophenyl)-8-(trifluoromethyl)quinoline-4-carbothioyl]-methyl-amino]acetic acid CAS Name: 2-[[[2-(4-fluorophenyl)-8-(trifluoromethyl)-4-quinolinyl]-sulfanylidenemethyl]-methylamino]acetic acid IUPAC Name: 2-[[2-(4-fluorophenyl)-8-(trifluoromethyl)quinoline-4-carbothioyl]-methylamino]acetic acid Traditional Name: 2-[[2-(4-fluorophenyl)-8-(trifluoromethyl)quinoline-4-carbothioyl]-methyl-amino]acetic acid Formula: C20H14F4N2O2S MolecularWeight: 422.395973

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)O)C(=S)C1=CC(=NC2=C1C=CC=C2C(F)(F)F)C3=CC=C(C=C3)F

Isomeric SMILES

CN(CC(=O)O)C(=S)C1=CC(=NC2=C1C=CC=C2C(F)(F)F)C3=CC=C(C=C3)F

InChI

InChI=1S/C20H14F4N2O2S/c1-26(10-17(27)28)19(29)14-9-16(11-5-7-12(21)8-6-11)25-18-13(14)3-2-4-15(18)20(22,23)24/h2-9H,10H2,1H3,(H,27,28)