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

Systemtic Name: ethyl 4-[[3-(4-chloranyl-3-nitro-phenyl)carbonyloxyphenyl]amino]-2-methylsulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-[3-(4-chloro-3-nitro-benzoyl)oxyanilino]-2-methylsulfanyl-pyrimidine-5-carboxylate CAS Name: 4-[3-[(4-chloro-3-nitrophenyl)-oxomethoxy]anilino]-2-(methylthio)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-(4-chloro-3-nitrobenzoyl)oxyanilino]-2-methylsulfanylpyrimidine-5-carboxylate Traditional Name: 4-[3-(4-chloro-3-nitro-benzoyl)oxyanilino]-2-(methylthio)pyrimidine-5-carboxylic acid ethyl ester Formula: C21H17ClN4O6S MolecularWeight: 488.90088

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1NC2=CC(=CC=C2)OC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])SC

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1NC2=CC(=CC=C2)OC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])SC

InChI

InChI=1S/C21H17ClN4O6S/c1-3-31-20(28)15-11-23-21(33-2)25-18(15)24-13-5-4-6-14(10-13)32-19(27)12-7-8-16(22)17(9-12)26(29)30/h4-11H,3H2,1-2H3,(H,23,24,25)