ethyl 4-[[4-(2-chloranyl-5-morpholin-4-ylsulfonyl-phenyl)carbonyloxyphenyl]amino]-2-methylsulfanyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-[[4-(2-chloranyl-5-morpholin-4-ylsulfonyl-phenyl)carbonyloxyphenyl]amino]-2-methylsulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-[4-(2-chloro-5-morpholinosulfonyl-benzoyl)oxyanilino]-2-methylsulfanyl-pyrimidine-5-carboxylate CAS Name: 4-[4-[[2-chloro-5-(4-morpholinylsulfonyl)phenyl]-oxomethoxy]anilino]-2-(methylthio)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-(2-chloro-5-morpholin-4-ylsulfonylbenzoyl)oxyanilino]-2-methylsulfanylpyrimidine-5-carboxylate Traditional Name: 4-[4-(2-chloro-5-morpholinosulfonyl-benzoyl)oxyanilino]-2-(methylthio)pyrimidine-5-carboxylic acid ethyl ester Formula: C25H25ClN4O7S2 MolecularWeight: 593.0716

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1NC2=CC=C(C=C2)OC(=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCOCC4)Cl)SC

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1NC2=CC=C(C=C2)OC(=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCOCC4)Cl)SC

InChI

InChI=1S/C25H25ClN4O7S2/c1-3-36-23(31)20-15-27-25(38-2)29-22(20)28-16-4-6-17(7-5-16)37-24(32)19-14-18(8-9-21(19)26)39(33,34)30-10-12-35-13-11-30/h4-9,14-15H,3,10-13H2,1-2H3,(H,27,28,29)