ethyl 4-[(4-methylsulfanylphenyl)amino]-7-(trifluoromethyl)quinoline-3-carboxylate

Systemtic Name: ethyl 4-[(4-methylsulfanylphenyl)amino]-7-(trifluoromethyl)quinoline-3-carboxylate Openeye Name: ethyl 4-(4-methylsulfanylanilino)-7-(trifluoromethyl)quinoline-3-carboxylate CAS Name: 4-[4-(methylthio)anilino]-7-(trifluoromethyl)-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-methylsulfanylanilino)-7-(trifluoromethyl)quinoline-3-carboxylate Traditional Name: 4-[4-(methylthio)anilino]-7-(trifluoromethyl)quinoline-3-carboxylic acid ethyl ester Formula: C20H17F3N2O2S MolecularWeight: 406.42139

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C2C=C(C=CC2=C1NC3=CC=C(C=C3)SC)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1=CN=C2C=C(C=CC2=C1NC3=CC=C(C=C3)SC)C(F)(F)F

InChI

InChI=1S/C20H17F3N2O2S/c1-3-27-19(26)16-11-24-17-10-12(20(21,22)23)4-9-15(17)18(16)25-13-5-7-14(28-2)8-6-13/h4-11H,3H2,1-2H3,(H,24,25)