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

Systemtic Name: ethyl 2-[[2-(4-fluorophenyl)-8-(trifluoromethyl)quinolin-4-yl]carbothioyl-methyl-amino]ethanoate Openeye Name: ethyl 2-[[2-(4-fluorophenyl)-8-(trifluoromethyl)quinoline-4-carbothioyl]-methyl-amino]acetate CAS Name: 2-[[[2-(4-fluorophenyl)-8-(trifluoromethyl)-4-quinolinyl]-sulfanylidenemethyl]-methylamino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[2-(4-fluorophenyl)-8-(trifluoromethyl)quinoline-4-carbothioyl]-methylamino]acetate Traditional Name: 2-[[2-(4-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=C(C=C3)F

Isomeric SMILES

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

InChI

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