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

Systemtic Name: 2-[methyl-[2-phenyl-8-(trifluoromethyl)quinolin-4-yl]carbothioyl-amino]ethanoic acid Openeye Name: 2-[methyl-[2-phenyl-8-(trifluoromethyl)quinoline-4-carbothioyl]amino]acetic acid CAS Name: 2-[methyl-[[2-phenyl-8-(trifluoromethyl)-4-quinolinyl]-sulfanylidenemethyl]amino]acetic acid IUPAC Name: 2-[methyl-[2-phenyl-8-(trifluoromethyl)quinoline-4-carbothioyl]amino]acetic acid Traditional Name: 2-[methyl-[2-phenyl-8-(trifluoromethyl)quinoline-4-carbothioyl]amino]acetic acid Formula: C20H15F3N2O2S MolecularWeight: 404.40551

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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=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C20H15F3N2O2S/c1-25(11-17(26)27)19(28)14-10-16(12-6-3-2-4-7-12)24-18-13(14)8-5-9-15(18)20(21,22)23/h2-10H,11H2,1H3,(H,26,27)