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

Systemtic Name: ethyl 2-[[2-(4-methoxyphenyl)-8-(trifluoromethyl)quinolin-4-yl]carbothioyl-methyl-amino]ethanoate Openeye Name: ethyl 2-[[2-(4-methoxyphenyl)-8-(trifluoromethyl)quinoline-4-carbothioyl]-methyl-amino]acetate CAS Name: 2-[[[2-(4-methoxyphenyl)-8-(trifluoromethyl)-4-quinolinyl]-sulfanylidenemethyl]-methylamino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[2-(4-methoxyphenyl)-8-(trifluoromethyl)quinoline-4-carbothioyl]-methylamino]acetate Traditional Name: 2-[[2-(4-methoxyphenyl)-8-(trifluoromethyl)quinoline-4-carbothioyl]-methyl-amino]acetic acid ethyl ester Formula: C23H21F3N2O3S MolecularWeight: 462.48465

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C23H21F3N2O3S/c1-4-31-20(29)13-28(2)22(32)17-12-19(14-8-10-15(30-3)11-9-14)27-21-16(17)6-5-7-18(21)23(24,25)26/h5-12H,4,13H2,1-3H3