ethyl 6-methyl-4-[2-(3-nitrophenyl)-2-oxidanylidene-ethyl]sulfanyl-2-oxidanylidene-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 6-methyl-4-[2-(3-nitrophenyl)-2-oxidanylidene-ethyl]sulfanyl-2-oxidanylidene-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 6-methyl-4-[2-(3-nitrophenyl)-2-oxo-ethyl]sulfanyl-2-oxo-1H-pyrimidine-5-carboxylate CAS Name: 6-methyl-4-[[2-(3-nitrophenyl)-2-oxoethyl]thio]-2-oxo-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-methyl-4-[2-(3-nitrophenyl)-2-oxoethyl]sulfanyl-2-oxo-1H-pyrimidine-5-carboxylate Traditional Name: 2-keto-4-[[2-keto-2-(3-nitrophenyl)ethyl]thio]-6-methyl-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C16H15N3O6S MolecularWeight: 377.3718

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)N=C1SCC(=O)C2=CC(=CC=C2)[N+](=O)[O-])C

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)N=C1SCC(=O)C2=CC(=CC=C2)[N+](=O)[O-])C

InChI

InChI=1S/C16H15N3O6S/c1-3-25-15(21)13-9(2)17-16(22)18-14(13)26-8-12(20)10-5-4-6-11(7-10)19(23)24/h4-7H,3,8H2,1-2H3,(H,17,18,22)