[3-(trifluoromethyl)phenyl]methyl 2-thiophen-2-ylquinoline-4-carboxylate

Systemtic Name: [3-(trifluoromethyl)phenyl]methyl 2-thiophen-2-ylquinoline-4-carboxylate Openeye Name: [3-(trifluoromethyl)phenyl]methyl 2-(2-thienyl)quinoline-4-carboxylate CAS Name: 2-thiophen-2-yl-4-quinolinecarboxylic acid [3-(trifluoromethyl)phenyl]methyl ester IUPAC Name: [3-(trifluoromethyl)phenyl]methyl 2-thiophen-2-ylquinoline-4-carboxylate Traditional Name: 2-(2-thienyl)cinchoninic acid [3-(trifluoromethyl)benzyl] ester Formula: C22H14F3NO2S MolecularWeight: 413.41227

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=CS3)C(=O)OCC4=CC(=CC=C4)C(F)(F)F

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=CS3)C(=O)OCC4=CC(=CC=C4)C(F)(F)F

InChI

InChI=1S/C22H14F3NO2S/c23-22(24,25)15-6-3-5-14(11-15)13-28-21(27)17-12-19(20-9-4-10-29-20)26-18-8-2-1-7-16(17)18/h1-12H,13H2