2-[[2-(3,4-dichlorophenyl)-8-(trifluoromethyl)quinolin-4-yl]carbothioyl-methyl-amino]ethanoic acid

Systemtic Name: 2-[[2-(3,4-dichlorophenyl)-8-(trifluoromethyl)quinolin-4-yl]carbothioyl-methyl-amino]ethanoic acid Openeye Name: 2-[[2-(3,4-dichlorophenyl)-8-(trifluoromethyl)quinoline-4-carbothioyl]-methyl-amino]acetic acid CAS Name: 2-[[[2-(3,4-dichlorophenyl)-8-(trifluoromethyl)-4-quinolinyl]-sulfanylidenemethyl]-methylamino]acetic acid IUPAC Name: 2-[[2-(3,4-dichlorophenyl)-8-(trifluoromethyl)quinoline-4-carbothioyl]-methylamino]acetic acid Traditional Name: 2-[[2-(3,4-dichlorophenyl)-8-(trifluoromethyl)quinoline-4-carbothioyl]-methyl-amino]acetic acid Formula: C20H13Cl2F3N2O2S MolecularWeight: 473.29563

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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)Cl)Cl

Isomeric SMILES

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

InChI

InChI=1S/C20H13Cl2F3N2O2S/c1-27(9-17(28)29)19(30)12-8-16(10-5-6-14(21)15(22)7-10)26-18-11(12)3-2-4-13(18)20(23,24)25/h2-8H,9H2,1H3,(H,28,29)