(2-chloranyl-7-methylsulfanyl-quinolin-3-yl)methyl 4-(trifluoromethyl)benzoate

Systemtic Name: (2-chloranyl-7-methylsulfanyl-quinolin-3-yl)methyl 4-(trifluoromethyl)benzoate Openeye Name: (2-chloro-7-methylsulfanyl-3-quinolyl)methyl 4-(trifluoromethyl)benzoate CAS Name: 4-(trifluoromethyl)benzoic acid [2-chloro-7-(methylthio)-3-quinolinyl]methyl ester IUPAC Name: (2-chloro-7-methylsulfanylquinolin-3-yl)methyl 4-(trifluoromethyl)benzoate Traditional Name: 4-(trifluoromethyl)benzoic acid [2-chloro-7-(methylthio)-3-quinolyl]methyl ester Formula: C19H13ClF3NO2S MolecularWeight: 411.82523

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC2=NC(=C(C=C2C=C1)COC(=O)C3=CC=C(C=C3)C(F)(F)F)Cl

Isomeric SMILES

CSC1=CC2=NC(=C(C=C2C=C1)COC(=O)C3=CC=C(C=C3)C(F)(F)F)Cl

InChI

InChI=1S/C19H13ClF3NO2S/c1-27-15-7-4-12-8-13(17(20)24-16(12)9-15)10-26-18(25)11-2-5-14(6-3-11)19(21,22)23/h2-9H,10H2,1H3