[3-(trifluoromethyl)phenyl]methyl 2-(5-chloranylthiophen-2-yl)quinoline-4-carboxylate

Systemtic Name: [3-(trifluoromethyl)phenyl]methyl 2-(5-chloranylthiophen-2-yl)quinoline-4-carboxylate Openeye Name: [3-(trifluoromethyl)phenyl]methyl 2-(5-chloro-2-thienyl)quinoline-4-carboxylate CAS Name: 2-(5-chloro-2-thiophenyl)-4-quinolinecarboxylic acid [3-(trifluoromethyl)phenyl]methyl ester IUPAC Name: [3-(trifluoromethyl)phenyl]methyl 2-(5-chlorothiophen-2-yl)quinoline-4-carboxylate Traditional Name: 2-(5-chloro-2-thienyl)cinchoninic acid [3-(trifluoromethyl)benzyl] ester Formula: C22H13ClF3NO2S MolecularWeight: 447.85733

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=C(S3)Cl)C(=O)OCC4=CC(=CC=C4)C(F)(F)F

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=C(S3)Cl)C(=O)OCC4=CC(=CC=C4)C(F)(F)F

InChI

InChI=1S/C22H13ClF3NO2S/c23-20-9-8-19(30-20)18-11-16(15-6-1-2-7-17(15)27-18)21(28)29-12-13-4-3-5-14(10-13)22(24,25)26/h1-11H,12H2