ethyl 1-[2-[(3-nitrophenyl)amino]-2-oxidanylidene-ethyl]-6-oxidanylidene-2-phenethylsulfanyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 1-[2-[(3-nitrophenyl)amino]-2-oxidanylidene-ethyl]-6-oxidanylidene-2-phenethylsulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 1-[2-(3-nitroanilino)-2-oxo-ethyl]-6-oxo-2-phenethylsulfanyl-pyrimidine-5-carboxylate CAS Name: 1-[2-(3-nitroanilino)-2-oxoethyl]-6-oxo-2-(phenethylthio)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(3-nitroanilino)-2-oxoethyl]-6-oxo-2-phenethylsulfanylpyrimidine-5-carboxylate Traditional Name: 6-keto-1-[2-keto-2-(3-nitroanilino)ethyl]-2-(phenethylthio)pyrimidine-5-carboxylic acid ethyl ester Formula: C23H22N4O6S MolecularWeight: 482.50898

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N(C1=O)CC(=O)NC2=CC(=CC=C2)[N+](=O)[O-])SCCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=CN=C(N(C1=O)CC(=O)NC2=CC(=CC=C2)[N+](=O)[O-])SCCC3=CC=CC=C3

InChI

InChI=1S/C23H22N4O6S/c1-2-33-22(30)19-14-24-23(34-12-11-16-7-4-3-5-8-16)26(21(19)29)15-20(28)25-17-9-6-10-18(13-17)27(31)32/h3-10,13-14H,2,11-12,15H2,1H3,(H,25,28)