ethyl 2-methylsulfanyl-4-[[3-[4-(trifluoromethyl)phenyl]carbonyloxyphenyl]amino]pyrimidine-5-carboxylate

Systemtic Name: ethyl 2-methylsulfanyl-4-[[3-[4-(trifluoromethyl)phenyl]carbonyloxyphenyl]amino]pyrimidine-5-carboxylate Openeye Name: ethyl 2-methylsulfanyl-4-[3-[4-(trifluoromethyl)benzoyl]oxyanilino]pyrimidine-5-carboxylate CAS Name: 2-(methylthio)-4-[3-[oxo-[4-(trifluoromethyl)phenyl]methoxy]anilino]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-methylsulfanyl-4-[3-[4-(trifluoromethyl)benzoyl]oxyanilino]pyrimidine-5-carboxylate Traditional Name: 2-(methylthio)-4-[3-[4-(trifluoromethyl)benzoyl]oxyanilino]pyrimidine-5-carboxylic acid ethyl ester Formula: C22H18F3N3O4S MolecularWeight: 477.45623

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1NC2=CC(=CC=C2)OC(=O)C3=CC=C(C=C3)C(F)(F)F)SC

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1NC2=CC(=CC=C2)OC(=O)C3=CC=C(C=C3)C(F)(F)F)SC

InChI

InChI=1S/C22H18F3N3O4S/c1-3-31-20(30)17-12-26-21(33-2)28-18(17)27-15-5-4-6-16(11-15)32-19(29)13-7-9-14(10-8-13)22(23,24)25/h4-12H,3H2,1-2H3,(H,26,27,28)