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

Systemtic Name: ethyl 4-[[3-(4-chloranyl-3-nitro-phenyl)carbonyloxyphenyl]amino]-2-(phenylmethylsulfanyl)pyrimidine-5-carboxylate Openeye Name: ethyl 2-benzylsulfanyl-4-[3-(4-chloro-3-nitro-benzoyl)oxyanilino]pyrimidine-5-carboxylate CAS Name: 4-[3-[(4-chloro-3-nitrophenyl)-oxomethoxy]anilino]-2-(phenylmethylthio)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-benzylsulfanyl-4-[3-(4-chloro-3-nitrobenzoyl)oxyanilino]pyrimidine-5-carboxylate Traditional Name: 2-(benzylthio)-4-[3-(4-chloro-3-nitro-benzoyl)oxyanilino]pyrimidine-5-carboxylic acid ethyl ester Formula: C27H21ClN4O6S MolecularWeight: 564.99684

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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-])SCC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1NC2=CC(=CC=C2)OC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])SCC4=CC=CC=C4

InChI

InChI=1S/C27H21ClN4O6S/c1-2-37-26(34)21-15-29-27(39-16-17-7-4-3-5-8-17)31-24(21)30-19-9-6-10-20(14-19)38-25(33)18-11-12-22(28)23(13-18)32(35)36/h3-15H,2,16H2,1H3,(H,29,30,31)