ethyl 4-[[3-(2-chloranyl-6-fluoranyl-phenyl)carbonyloxyphenyl]amino]-2-methylsulfanyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-[[3-(2-chloranyl-6-fluoranyl-phenyl)carbonyloxyphenyl]amino]-2-methylsulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-[3-(2-chloro-6-fluoro-benzoyl)oxyanilino]-2-methylsulfanyl-pyrimidine-5-carboxylate CAS Name: 4-[3-[(2-chloro-6-fluorophenyl)-oxomethoxy]anilino]-2-(methylthio)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-(2-chloro-6-fluorobenzoyl)oxyanilino]-2-methylsulfanylpyrimidine-5-carboxylate Traditional Name: 4-[3-(2-chloro-6-fluoro-benzoyl)oxyanilino]-2-(methylthio)pyrimidine-5-carboxylic acid ethyl ester Formula: C21H17ClFN3O4S MolecularWeight: 461.893783

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1NC2=CC(=CC=C2)OC(=O)C3=C(C=CC=C3Cl)F)SC

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1NC2=CC(=CC=C2)OC(=O)C3=C(C=CC=C3Cl)F)SC

InChI

InChI=1S/C21H17ClFN3O4S/c1-3-29-19(27)14-11-24-21(31-2)26-18(14)25-12-6-4-7-13(10-12)30-20(28)17-15(22)8-5-9-16(17)23/h4-11H,3H2,1-2H3,(H,24,25,26)