ethyl 4-[[3-(3-nitrophenyl)carbonyloxyphenyl]amino]-2-(phenylmethylsulfanyl)pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-[[3-(3-nitrophenyl)carbonyloxyphenyl]amino]-2-(phenylmethylsulfanyl)pyrimidine-5-carboxylate Openeye Name: ethyl 2-benzylsulfanyl-4-[3-(3-nitrobenzoyl)oxyanilino]pyrimidine-5-carboxylate CAS Name: 4-[3-[(3-nitrophenyl)-oxomethoxy]anilino]-2-(phenylmethylthio)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-benzylsulfanyl-4-[3-(3-nitrobenzoyl)oxyanilino]pyrimidine-5-carboxylate Traditional Name: 2-(benzylthio)-4-[3-(3-nitrobenzoyl)oxyanilino]pyrimidine-5-carboxylic acid ethyl ester Formula: C27H22N4O6S MolecularWeight: 530.55178

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H22N4O6S/c1-2-36-26(33)23-16-28-27(38-17-18-8-4-3-5-9-18)30-24(23)29-20-11-7-13-22(15-20)37-25(32)19-10-6-12-21(14-19)31(34)35/h3-16H,2,17H2,1H3,(H,28,29,30)