ethyl 4-[[3-(4-chlorophenyl)sulfonyloxyphenyl]amino]-2-methylsulfanyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-[[3-(4-chlorophenyl)sulfonyloxyphenyl]amino]-2-methylsulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-[3-(4-chlorophenyl)sulfonyloxyanilino]-2-methylsulfanyl-pyrimidine-5-carboxylate CAS Name: 4-[3-(4-chlorophenyl)sulfonyloxyanilino]-2-(methylthio)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-(4-chlorophenyl)sulfonyloxyanilino]-2-methylsulfanylpyrimidine-5-carboxylate Traditional Name: 4-[3-(4-chlorophenyl)sulfonyloxyanilino]-2-(methylthio)pyrimidine-5-carboxylic acid ethyl ester Formula: C20H18ClN3O5S2 MolecularWeight: 479.95702

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18ClN3O5S2/c1-3-28-19(25)17-12-22-20(30-2)24-18(17)23-14-5-4-6-15(11-14)29-31(26,27)16-9-7-13(21)8-10-16/h4-12H,3H2,1-2H3,(H,22,23,24)