ethyl 6-methyl-4-[3-(trifluoromethyl)phenyl]sulfanyl-quinoline-3-carboxylate

Systemtic Name: ethyl 6-methyl-4-[3-(trifluoromethyl)phenyl]sulfanyl-quinoline-3-carboxylate Openeye Name: ethyl 6-methyl-4-[3-(trifluoromethyl)phenyl]sulfanyl-quinoline-3-carboxylate CAS Name: 6-methyl-4-[[3-(trifluoromethyl)phenyl]thio]-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-methyl-4-[3-(trifluoromethyl)phenyl]sulfanylquinoline-3-carboxylate Traditional Name: 6-methyl-4-[[3-(trifluoromethyl)phenyl]thio]quinoline-3-carboxylic acid ethyl ester Formula: C20H16F3NO2S MolecularWeight: 391.40675

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C2C=CC(=CC2=C1SC3=CC=CC(=C3)C(F)(F)F)C

Isomeric SMILES

CCOC(=O)C1=CN=C2C=CC(=CC2=C1SC3=CC=CC(=C3)C(F)(F)F)C

InChI

InChI=1S/C20H16F3NO2S/c1-3-26-19(25)16-11-24-17-8-7-12(2)9-15(17)18(16)27-14-6-4-5-13(10-14)20(21,22)23/h4-11H,3H2,1-2H3