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

Systemtic Name: ethyl 4-[[4-(3,4-dimethoxyphenyl)sulfonyloxyphenyl]amino]-2-methylsulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-[4-(3,4-dimethoxyphenyl)sulfonyloxyanilino]-2-methylsulfanyl-pyrimidine-5-carboxylate CAS Name: 4-[4-(3,4-dimethoxyphenyl)sulfonyloxyanilino]-2-(methylthio)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-(3,4-dimethoxyphenyl)sulfonyloxyanilino]-2-methylsulfanylpyrimidine-5-carboxylate Traditional Name: 4-[4-(3,4-dimethoxyphenyl)sulfonyloxyanilino]-2-(methylthio)pyrimidine-5-carboxylic acid ethyl ester Formula: C22H23N3O7S2 MolecularWeight: 505.56392

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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)OC)OC)SC

Isomeric SMILES

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

InChI

InChI=1S/C22H23N3O7S2/c1-5-31-21(26)17-13-23-22(33-4)25-20(17)24-14-6-8-15(9-7-14)32-34(27,28)16-10-11-18(29-2)19(12-16)30-3/h6-13H,5H2,1-4H3,(H,23,24,25)