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

Systemtic Name: 2-[[2-(3-methoxyphenyl)-8-(trifluoromethyl)quinolin-4-yl]carbothioyl-methyl-amino]ethanoic acid Openeye Name: 2-[[2-(3-methoxyphenyl)-8-(trifluoromethyl)quinoline-4-carbothioyl]-methyl-amino]acetic acid CAS Name: 2-[[[2-(3-methoxyphenyl)-8-(trifluoromethyl)-4-quinolinyl]-sulfanylidenemethyl]-methylamino]acetic acid IUPAC Name: 2-[[2-(3-methoxyphenyl)-8-(trifluoromethyl)quinoline-4-carbothioyl]-methylamino]acetic acid Traditional Name: 2-[[2-(3-methoxyphenyl)-8-(trifluoromethyl)quinoline-4-carbothioyl]-methyl-amino]acetic acid Formula: C21H17F3N2O3S MolecularWeight: 434.43149

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H17F3N2O3S/c1-26(11-18(27)28)20(30)15-10-17(12-5-3-6-13(9-12)29-2)25-19-14(15)7-4-8-16(19)21(22,23)24/h3-10H,11H2,1-2H3,(H,27,28)