ethyl 4-(4-methoxyphenoxy)-2-methylsulfanyl-8-(trifluoromethyl)quinoline-3-carboxylate

Systemtic Name: ethyl 4-(4-methoxyphenoxy)-2-methylsulfanyl-8-(trifluoromethyl)quinoline-3-carboxylate Openeye Name: ethyl 4-(4-methoxyphenoxy)-2-methylsulfanyl-8-(trifluoromethyl)quinoline-3-carboxylate CAS Name: 4-(4-methoxyphenoxy)-2-(methylthio)-8-(trifluoromethyl)-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-methoxyphenoxy)-2-methylsulfanyl-8-(trifluoromethyl)quinoline-3-carboxylate Traditional Name: 4-(4-methoxyphenoxy)-2-(methylthio)-8-(trifluoromethyl)quinoline-3-carboxylic acid ethyl ester Formula: C21H18F3NO4S MolecularWeight: 437.43213

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(C(=CC=C2)C(F)(F)F)N=C1SC)OC3=CC=C(C=C3)OC

Isomeric SMILES

CCOC(=O)C1=C(C2=C(C(=CC=C2)C(F)(F)F)N=C1SC)OC3=CC=C(C=C3)OC

InChI

InChI=1S/C21H18F3NO4S/c1-4-28-20(26)16-18(29-13-10-8-12(27-2)9-11-13)14-6-5-7-15(21(22,23)24)17(14)25-19(16)30-3/h5-11H,4H2,1-3H3