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

Systemtic Name: ethyl 4-[[3-[2-(4-chloranylphenoxy)ethanoyloxy]phenyl]amino]-2-methylsulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-[3-[2-(4-chlorophenoxy)acetyl]oxyanilino]-2-methylsulfanyl-pyrimidine-5-carboxylate CAS Name: 4-[3-[2-(4-chlorophenoxy)-1-oxoethoxy]anilino]-2-(methylthio)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-[2-(4-chlorophenoxy)acetyl]oxyanilino]-2-methylsulfanylpyrimidine-5-carboxylate Traditional Name: 4-[3-[2-(4-chlorophenoxy)acetyl]oxyanilino]-2-(methylthio)pyrimidine-5-carboxylic acid ethyl ester Formula: C22H20ClN3O5S MolecularWeight: 473.9293

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1NC2=CC(=CC=C2)OC(=O)COC3=CC=C(C=C3)Cl)SC

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1NC2=CC(=CC=C2)OC(=O)COC3=CC=C(C=C3)Cl)SC

InChI

InChI=1S/C22H20ClN3O5S/c1-3-29-21(28)18-12-24-22(32-2)26-20(18)25-15-5-4-6-17(11-15)31-19(27)13-30-16-9-7-14(23)8-10-16/h4-12H,3,13H2,1-2H3,(H,24,25,26)