ethyl 3-ethanoyl-4-phenyl-1-(trifluoromethylsulfonyl)-2H-quinoline-2-carboxylate

Systemtic Name: ethyl 3-ethanoyl-4-phenyl-1-(trifluoromethylsulfonyl)-2H-quinoline-2-carboxylate Openeye Name: ethyl 3-acetyl-4-phenyl-1-(trifluoromethylsulfonyl)-2H-quinoline-2-carboxylate CAS Name: 3-acetyl-4-phenyl-1-(trifluoromethylsulfonyl)-2H-quinoline-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-acetyl-4-phenyl-1-(trifluoromethylsulfonyl)-2H-quinoline-2-carboxylate Traditional Name: 3-acetyl-4-phenyl-1-triflyl-2H-quinoline-2-carboxylic acid ethyl ester Formula: C21H18F3NO5S MolecularWeight: 453.43153

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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=CC=C3)C(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C21H18F3NO5S/c1-3-30-20(27)19-17(13(2)26)18(14-9-5-4-6-10-14)15-11-7-8-12-16(15)25(19)31(28,29)21(22,23)24/h4-12,19H,3H2,1-2H3