ethyl 2-[[2-(2-fluorophenyl)-8-(trifluoromethyl)quinolin-4-yl]carbothioyl-methyl-amino]ethanoate

Systemtic Name: ethyl 2-[[2-(2-fluorophenyl)-8-(trifluoromethyl)quinolin-4-yl]carbothioyl-methyl-amino]ethanoate Openeye Name: ethyl 2-[[2-(2-fluorophenyl)-8-(trifluoromethyl)quinoline-4-carbothioyl]-methyl-amino]acetate CAS Name: 2-[[[2-(2-fluorophenyl)-8-(trifluoromethyl)-4-quinolinyl]-sulfanylidenemethyl]-methylamino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[2-(2-fluorophenyl)-8-(trifluoromethyl)quinoline-4-carbothioyl]-methylamino]acetate Traditional Name: 2-[[2-(2-fluorophenyl)-8-(trifluoromethyl)quinoline-4-carbothioyl]-methyl-amino]acetic acid ethyl ester Formula: C22H18F4N2O2S MolecularWeight: 450.449133

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN(C)C(=S)C1=CC(=NC2=C1C=CC=C2C(F)(F)F)C3=CC=CC=C3F

Isomeric SMILES

CCOC(=O)CN(C)C(=S)C1=CC(=NC2=C1C=CC=C2C(F)(F)F)C3=CC=CC=C3F

InChI

InChI=1S/C22H18F4N2O2S/c1-3-30-19(29)12-28(2)21(31)15-11-18(14-7-4-5-10-17(14)23)27-20-13(15)8-6-9-16(20)22(24,25)26/h4-11H,3,12H2,1-2H3