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

Systemtic Name: ethyl 1-[(4-methoxyphenyl)methyl]-2-oxidanylidene-4-(trifluoromethylsulfonyloxy)quinoline-3-carboxylate Openeye Name: ethyl 1-[(4-methoxyphenyl)methyl]-2-oxo-4-(trifluoromethylsulfonyloxy)quinoline-3-carboxylate CAS Name: 1-[(4-methoxyphenyl)methyl]-2-oxo-4-(trifluoromethylsulfonyloxy)-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(4-methoxyphenyl)methyl]-2-oxo-4-(trifluoromethylsulfonyloxy)quinoline-3-carboxylate Traditional Name: 2-keto-1-p-anisyl-4-triflyloxy-quinoline-3-carboxylic acid ethyl ester Formula: C21H18F3NO7S MolecularWeight: 485.43033

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2N(C1=O)CC3=CC=C(C=C3)OC)OS(=O)(=O)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2N(C1=O)CC3=CC=C(C=C3)OC)OS(=O)(=O)C(F)(F)F

InChI

InChI=1S/C21H18F3NO7S/c1-3-31-20(27)17-18(32-33(28,29)21(22,23)24)15-6-4-5-7-16(15)25(19(17)26)12-13-8-10-14(30-2)11-9-13/h4-11H,3,12H2,1-2H3