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

Systemtic Name: ethyl 2-methylsulfanyl-4-[[3-(phenylsulfonyloxy)phenyl]amino]pyrimidine-5-carboxylate Openeye Name: ethyl 4-[3-(benzenesulfonyloxy)anilino]-2-methylsulfanyl-pyrimidine-5-carboxylate CAS Name: 4-[3-(benzenesulfonyloxy)anilino]-2-(methylthio)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-(benzenesulfonyloxy)anilino]-2-methylsulfanylpyrimidine-5-carboxylate Traditional Name: 4-(3-besyloxyanilino)-2-(methylthio)pyrimidine-5-carboxylic acid ethyl ester Formula: C20H19N3O5S2 MolecularWeight: 445.51196

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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=CC=C3)SC

Isomeric SMILES

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

InChI

InChI=1S/C20H19N3O5S2/c1-3-27-19(24)17-13-21-20(29-2)23-18(17)22-14-8-7-9-15(12-14)28-30(25,26)16-10-5-4-6-11-16/h4-13H,3H2,1-2H3,(H,21,22,23)