ethyl 6-[[2-(4-methylsulfanyl-3-nitro-phenyl)carbonylphenyl]carbonyloxymethyl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 6-[[2-(4-methylsulfanyl-3-nitro-phenyl)carbonylphenyl]carbonyloxymethyl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 6-[[2-(4-methylsulfanyl-3-nitro-benzoyl)benzoyl]oxymethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-[[[2-[[4-(methylthio)-3-nitrophenyl]-oxomethyl]phenyl]-oxomethoxy]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-[[2-(4-methylsulfanyl-3-nitrobenzoyl)benzoyl]oxymethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 2-keto-6-[[2-[4-(methylthio)-3-nitro-benzoyl]benzoyl]oxymethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C23H21N3O8S MolecularWeight: 499.49314

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1)COC(=O)C2=CC=CC=C2C(=O)C3=CC(=C(C=C3)SC)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)NC1)COC(=O)C2=CC=CC=C2C(=O)C3=CC(=C(C=C3)SC)[N+](=O)[O-]

InChI

InChI=1S/C23H21N3O8S/c1-3-33-22(29)16-11-24-23(30)25-17(16)12-34-21(28)15-7-5-4-6-14(15)20(27)13-8-9-19(35-2)18(10-13)26(31)32/h4-10H,3,11-12H2,1-2H3,(H2,24,25,30)