ethyl 4-(2,4-dimethylphenyl)sulfanyl-8-(trifluoromethyl)quinoline-3-carboxylate

Systemtic Name: ethyl 4-(2,4-dimethylphenyl)sulfanyl-8-(trifluoromethyl)quinoline-3-carboxylate Openeye Name: ethyl 4-(2,4-dimethylphenyl)sulfanyl-8-(trifluoromethyl)quinoline-3-carboxylate CAS Name: 4-[(2,4-dimethylphenyl)thio]-8-(trifluoromethyl)-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(2,4-dimethylphenyl)sulfanyl-8-(trifluoromethyl)quinoline-3-carboxylate Traditional Name: 4-[(2,4-dimethylphenyl)thio]-8-(trifluoromethyl)quinoline-3-carboxylic acid ethyl ester Formula: C21H18F3NO2S MolecularWeight: 405.43333

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18F3NO2S/c1-4-27-20(26)15-11-25-18-14(6-5-7-16(18)21(22,23)24)19(15)28-17-9-8-12(2)10-13(17)3/h5-11H,4H2,1-3H3