2-[3-(trifluoromethyl)phenyl]sulfanylethyl 2-methylquinoline-4-carboxylate

Systemtic Name: 2-[3-(trifluoromethyl)phenyl]sulfanylethyl 2-methylquinoline-4-carboxylate Openeye Name: 2-[3-(trifluoromethyl)phenyl]sulfanylethyl 2-methylquinoline-4-carboxylate CAS Name: 2-methyl-4-quinolinecarboxylic acid 2-[[3-(trifluoromethyl)phenyl]thio]ethyl ester IUPAC Name: 2-[3-(trifluoromethyl)phenyl]sulfanylethyl 2-methylquinoline-4-carboxylate Traditional Name: 2-methylcinchoninic acid 2-[[3-(trifluoromethyl)phenyl]thio]ethyl ester Formula: C20H16F3NO2S MolecularWeight: 391.40675

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=C1)C(=O)OCCSC3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=C1)C(=O)OCCSC3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C20H16F3NO2S/c1-13-11-17(16-7-2-3-8-18(16)24-13)19(25)26-9-10-27-15-6-4-5-14(12-15)20(21,22)23/h2-8,11-12H,9-10H2,1H3