O2-ethyl O3-methyl 4-(4-fluorophenyl)-1-(trifluoromethylsulfonyl)-2H-quinoline-2,3-dicarboxylate

Systemtic Name: O2-ethyl O3-methyl 4-(4-fluorophenyl)-1-(trifluoromethylsulfonyl)-2H-quinoline-2,3-dicarboxylate Openeye Name: O2-ethyl O3-methyl 4-(4-fluorophenyl)-1-(trifluoromethylsulfonyl)-2H-quinoline-2,3-dicarboxylate CAS Name: 4-(4-fluorophenyl)-1-(trifluoromethylsulfonyl)-2H-quinoline-2,3-dicarboxylic acid O2-ethyl ester O3-methyl ester IUPAC Name: 2-O-ethyl 3-O-methyl 4-(4-fluorophenyl)-1-(trifluoromethylsulfonyl)-2H-quinoline-2,3-dicarboxylate Traditional Name: 4-(4-fluorophenyl)-1-triflyl-2H-quinoline-2,3-dicarboxylic acid O2-ethyl ester O3-methyl ester Formula: C21H17F4NO6S MolecularWeight: 487.421393

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(=C(C2=CC=CC=C2N1S(=O)(=O)C(F)(F)F)C3=CC=C(C=C3)F)C(=O)OC

Isomeric SMILES

CCOC(=O)C1C(=C(C2=CC=CC=C2N1S(=O)(=O)C(F)(F)F)C3=CC=C(C=C3)F)C(=O)OC

InChI

InChI=1S/C21H17F4NO6S/c1-3-32-20(28)18-17(19(27)31-2)16(12-8-10-13(22)11-9-12)14-6-4-5-7-15(14)26(18)33(29,30)21(23,24)25/h4-11,18H,3H2,1-2H3