[2-(trifluoromethyl)phenyl]methyl 2-(4-methylquinolin-2-yl)sulfanylethanoate

Systemtic Name: [2-(trifluoromethyl)phenyl]methyl 2-(4-methylquinolin-2-yl)sulfanylethanoate Openeye Name: [2-(trifluoromethyl)phenyl]methyl 2-[(4-methyl-2-quinolyl)sulfanyl]acetate CAS Name: 2-[(4-methyl-2-quinolinyl)thio]acetic acid [2-(trifluoromethyl)phenyl]methyl ester IUPAC Name: [2-(trifluoromethyl)phenyl]methyl 2-(4-methylquinolin-2-yl)sulfanylacetate Traditional Name: 2-[(4-methyl-2-quinolyl)thio]acetic acid [2-(trifluoromethyl)benzyl] ester Formula: C20H16F3NO2S MolecularWeight: 391.40675

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=CC=CC=C12)SCC(=O)OCC3=CC=CC=C3C(F)(F)F

Isomeric SMILES

CC1=CC(=NC2=CC=CC=C12)SCC(=O)OCC3=CC=CC=C3C(F)(F)F

InChI

InChI=1S/C20H16F3NO2S/c1-13-10-18(24-17-9-5-3-7-15(13)17)27-12-19(25)26-11-14-6-2-4-8-16(14)20(21,22)23/h2-10H,11-12H2,1H3