methyl 2-[[8-(trifluoromethylsulfanyl)quinolin-4-yl]amino]benzoate

Systemtic Name: methyl 2-[[8-(trifluoromethylsulfanyl)quinolin-4-yl]amino]benzoate Openeye Name: methyl 2-[[8-(trifluoromethylsulfanyl)-4-quinolyl]amino]benzoate CAS Name: 2-[[8-(trifluoromethylthio)-4-quinolinyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[8-(trifluoromethylsulfanyl)quinolin-4-yl]amino]benzoate Traditional Name: 2-[[8-(trifluoromethylthio)-4-quinolyl]amino]benzoic acid methyl ester Formula: C18H13F3N2O2S MolecularWeight: 378.36823

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC2=C3C=CC=C(C3=NC=C2)SC(F)(F)F

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC2=C3C=CC=C(C3=NC=C2)SC(F)(F)F

InChI

InChI=1S/C18H13F3N2O2S/c1-25-17(24)12-5-2-3-7-13(12)23-14-9-10-22-16-11(14)6-4-8-15(16)26-18(19,20)21/h2-10H,1H3,(H,22,23)