O2-ethyl O4-methyl (2S)-3-(cyclohexen-1-yl)-1-(trifluoromethylsulfonyl)-2H-quinoline-2,4-dicarboxylate

Systemtic Name: O2-ethyl O4-methyl (2S)-3-(cyclohexen-1-yl)-1-(trifluoromethylsulfonyl)-2H-quinoline-2,4-dicarboxylate Openeye Name: O2-ethyl O4-methyl (2S)-3-(cyclohexen-1-yl)-1-(trifluoromethylsulfonyl)-2H-quinoline-2,4-dicarboxylate CAS Name: (2S)-3-(1-cyclohexenyl)-1-(trifluoromethylsulfonyl)-2H-quinoline-2,4-dicarboxylic acid O2-ethyl ester O4-methyl ester IUPAC Name: 2-O-ethyl 4-O-methyl (2S)-3-(cyclohexen-1-yl)-1-(trifluoromethylsulfonyl)-2H-quinoline-2,4-dicarboxylate Traditional Name: (2S)-3-(cyclohexen-1-yl)-1-triflyl-2H-quinoline-2,4-dicarboxylic acid O2-ethyl ester O4-methyl ester Formula: C21H22F3NO6S MolecularWeight: 473.46269

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(=C(C2=CC=CC=C2N1S(=O)(=O)C(F)(F)F)C(=O)OC)C3=CCCCC3

Isomeric SMILES

CCOC(=O)[C@@H]1C(=C(C2=CC=CC=C2N1S(=O)(=O)C(F)(F)F)C(=O)OC)C3=CCCCC3

InChI

InChI=1S/C21H22F3NO6S/c1-3-31-20(27)18-16(13-9-5-4-6-10-13)17(19(26)30-2)14-11-7-8-12-15(14)25(18)32(28,29)21(22,23)24/h7-9,11-12,18H,3-6,10H2,1-2H3/t18-/m0/s1