ethyl 4-[[3-[2-(4-fluorophenyl)ethanoyloxy]phenyl]amino]-2-methylsulfanyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-[[3-[2-(4-fluorophenyl)ethanoyloxy]phenyl]amino]-2-methylsulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-[3-[2-(4-fluorophenyl)acetyl]oxyanilino]-2-methylsulfanyl-pyrimidine-5-carboxylate CAS Name: 4-[3-[2-(4-fluorophenyl)-1-oxoethoxy]anilino]-2-(methylthio)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-[2-(4-fluorophenyl)acetyl]oxyanilino]-2-methylsulfanylpyrimidine-5-carboxylate Traditional Name: 4-[3-[2-(4-fluorophenyl)acetyl]oxyanilino]-2-(methylthio)pyrimidine-5-carboxylic acid ethyl ester Formula: C22H20FN3O4S MolecularWeight: 441.475303

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1NC2=CC(=CC=C2)OC(=O)CC3=CC=C(C=C3)F)SC

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1NC2=CC(=CC=C2)OC(=O)CC3=CC=C(C=C3)F)SC

InChI

InChI=1S/C22H20FN3O4S/c1-3-29-21(28)18-13-24-22(31-2)26-20(18)25-16-5-4-6-17(12-16)30-19(27)11-14-7-9-15(23)10-8-14/h4-10,12-13H,3,11H2,1-2H3,(H,24,25,26)