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

Systemtic Name: ethyl 4-[[4-(4-methylphenyl)sulfonyloxyphenyl]amino]-2-methylsulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 2-methylsulfanyl-4-[4-(p-tolylsulfonyloxy)anilino]pyrimidine-5-carboxylate CAS Name: 4-[4-(4-methylphenyl)sulfonyloxyanilino]-2-(methylthio)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-(4-methylphenyl)sulfonyloxyanilino]-2-methylsulfanylpyrimidine-5-carboxylate Traditional Name: 2-(methylthio)-4-(4-tosyloxyanilino)pyrimidine-5-carboxylic acid ethyl ester Formula: C21H21N3O5S2 MolecularWeight: 459.53854

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O5S2/c1-4-28-20(25)18-13-22-21(30-3)24-19(18)23-15-7-9-16(10-8-15)29-31(26,27)17-11-5-14(2)6-12-17/h5-13H,4H2,1-3H3,(H,22,23,24)