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

Systemtic Name: O2-ethyl O3-methyl (2S)-4-(2-methylpropyl)-1-(trifluoromethylsulfonyl)-2H-quinoline-2,3-dicarboxylate Openeye Name: O2-ethyl O3-methyl (2S)-4-isobutyl-1-(trifluoromethylsulfonyl)-2H-quinoline-2,3-dicarboxylate CAS Name: (2S)-4-(2-methylpropyl)-1-(trifluoromethylsulfonyl)-2H-quinoline-2,3-dicarboxylic acid O2-ethyl ester O3-methyl ester IUPAC Name: 2-O-ethyl 3-O-methyl (2S)-4-(2-methylpropyl)-1-(trifluoromethylsulfonyl)-2H-quinoline-2,3-dicarboxylate Traditional Name: (2S)-4-isobutyl-1-triflyl-2H-quinoline-2,3-dicarboxylic acid O2-ethyl ester O3-methyl ester Formula: C19H22F3NO6S MolecularWeight: 449.44129

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22F3NO6S/c1-5-29-18(25)16-15(17(24)28-4)13(10-11(2)3)12-8-6-7-9-14(12)23(16)30(26,27)19(20,21)22/h6-9,11,16H,5,10H2,1-4H3/t16-/m0/s1