ethyl 4-[[3-(2-chloranyl-5-morpholin-4-ylsulfonyl-phenyl)carbonyloxyphenyl]amino]-2-methylsulfanyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-[[3-(2-chloranyl-5-morpholin-4-ylsulfonyl-phenyl)carbonyloxyphenyl]amino]-2-methylsulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-[3-(2-chloro-5-morpholinosulfonyl-benzoyl)oxyanilino]-2-methylsulfanyl-pyrimidine-5-carboxylate CAS Name: 4-[3-[[2-chloro-5-(4-morpholinylsulfonyl)phenyl]-oxomethoxy]anilino]-2-(methylthio)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-(2-chloro-5-morpholin-4-ylsulfonylbenzoyl)oxyanilino]-2-methylsulfanylpyrimidine-5-carboxylate Traditional Name: 4-[3-(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(=CC=C2)OC(=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCOCC4)Cl)SC

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1NC2=CC(=CC=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)28-16-5-4-6-17(13-16)37-24(32)19-14-18(7-8-21(19)26)39(33,34)30-9-11-35-12-10-30/h4-8,13-15H,3,9-12H2,1-2H3,(H,27,28,29)