ethyl 6-chloranyl-1-[(4-methoxyphenyl)methyl]-2-oxidanylidene-4-(trifluoromethylsulfonyloxy)quinoline-3-carboxylate

Systemtic Name: ethyl 6-chloranyl-1-[(4-methoxyphenyl)methyl]-2-oxidanylidene-4-(trifluoromethylsulfonyloxy)quinoline-3-carboxylate Openeye Name: ethyl 6-chloro-1-[(4-methoxyphenyl)methyl]-2-oxo-4-(trifluoromethylsulfonyloxy)quinoline-3-carboxylate CAS Name: 6-chloro-1-[(4-methoxyphenyl)methyl]-2-oxo-4-(trifluoromethylsulfonyloxy)-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-chloro-1-[(4-methoxyphenyl)methyl]-2-oxo-4-(trifluoromethylsulfonyloxy)quinoline-3-carboxylate Traditional Name: 6-chloro-2-keto-1-p-anisyl-4-triflyloxy-quinoline-3-carboxylic acid ethyl ester Formula: C21H17ClF3NO7S MolecularWeight: 519.87539

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(C=CC(=C2)Cl)N(C1=O)CC3=CC=C(C=C3)OC)OS(=O)(=O)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1=C(C2=C(C=CC(=C2)Cl)N(C1=O)CC3=CC=C(C=C3)OC)OS(=O)(=O)C(F)(F)F

InChI

InChI=1S/C21H17ClF3NO7S/c1-3-32-20(28)17-18(33-34(29,30)21(23,24)25)15-10-13(22)6-9-16(15)26(19(17)27)11-12-4-7-14(31-2)8-5-12/h4-10H,3,11H2,1-2H3