methyl 2-[3-[3-(trifluoromethyl)phenyl]quinolin-2-yl]sulfanylbenzoate

Systemtic Name: methyl 2-[3-[3-(trifluoromethyl)phenyl]quinolin-2-yl]sulfanylbenzoate Openeye Name: methyl 2-[[3-[3-(trifluoromethyl)phenyl]-2-quinolyl]sulfanyl]benzoate CAS Name: 2-[[3-[3-(trifluoromethyl)phenyl]-2-quinolinyl]thio]benzoic acid methyl ester IUPAC Name: methyl 2-[3-[3-(trifluoromethyl)phenyl]quinolin-2-yl]sulfanylbenzoate Traditional Name: 2-[[3-[3-(trifluoromethyl)phenyl]-2-quinolyl]thio]benzoic acid methyl ester Formula: C24H16F3NO2S MolecularWeight: 439.44955

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1SC2=NC3=CC=CC=C3C=C2C4=CC(=CC=C4)C(F)(F)F

Isomeric SMILES

COC(=O)C1=CC=CC=C1SC2=NC3=CC=CC=C3C=C2C4=CC(=CC=C4)C(F)(F)F

InChI

InChI=1S/C24H16F3NO2S/c1-30-23(29)18-10-3-5-12-21(18)31-22-19(14-16-7-2-4-11-20(16)28-22)15-8-6-9-17(13-15)24(25,26)27/h2-14H,1H3