ethyl 4,5-dimethyl-2-[[6-methyl-4-(2-nitrophenyl)-2-oxidanylidene-3,4-dihydro-1H-pyrimidin-5-yl]carbonylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 4,5-dimethyl-2-[[6-methyl-4-(2-nitrophenyl)-2-oxidanylidene-3,4-dihydro-1H-pyrimidin-5-yl]carbonylamino]thiophene-3-carboxylate Openeye Name: ethyl 4,5-dimethyl-2-[[6-methyl-4-(2-nitrophenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carbonyl]amino]thiophene-3-carboxylate CAS Name: 4,5-dimethyl-2-[[[6-methyl-4-(2-nitrophenyl)-2-oxo-3,4-dihydro-1H-pyrimidin-5-yl]-oxomethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4,5-dimethyl-2-[[6-methyl-4-(2-nitrophenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carbonyl]amino]thiophene-3-carboxylate Traditional Name: 2-[[2-keto-6-methyl-4-(2-nitrophenyl)-3,4-dihydro-1H-pyrimidine-5-carbonyl]amino]-4,5-dimethyl-thiophene-3-carboxylic acid ethyl ester Formula: C21H22N4O6S MolecularWeight: 458.48758

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)C2=C(NC(=O)NC2C3=CC=CC=C3[N+](=O)[O-])C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)C2=C(NC(=O)NC2C3=CC=CC=C3[N+](=O)[O-])C

InChI

InChI=1S/C21H22N4O6S/c1-5-31-20(27)15-10(2)12(4)32-19(15)24-18(26)16-11(3)22-21(28)23-17(16)13-8-6-7-9-14(13)25(29)30/h6-9,17H,5H2,1-4H3,(H,24,26)(H2,22,23,28)