methyl 5-cyano-4-[2-(3-nitrophenyl)-2-oxidanylidene-ethyl]-6-oxidanylidene-2-sulfanylidene-1,3-diazinane-4-carboxylate

Systemtic Name: methyl 5-cyano-4-[2-(3-nitrophenyl)-2-oxidanylidene-ethyl]-6-oxidanylidene-2-sulfanylidene-1,3-diazinane-4-carboxylate Openeye Name: methyl 5-cyano-4-[2-(3-nitrophenyl)-2-oxo-ethyl]-6-oxo-2-thioxo-hexahydropyrimidine-4-carboxylate CAS Name: 5-cyano-4-[2-(3-nitrophenyl)-2-oxoethyl]-6-oxo-2-sulfanylidene-1,3-diazinane-4-carboxylic acid methyl ester IUPAC Name: methyl 5-cyano-4-[2-(3-nitrophenyl)-2-oxoethyl]-6-oxo-2-sulfanylidene-1,3-diazinane-4-carboxylate Traditional Name: 5-cyano-6-keto-4-[2-keto-2-(3-nitrophenyl)ethyl]-2-thioxo-hexahydropyrimidine-4-carboxylic acid methyl ester Formula: C15H12N4O6S MolecularWeight: 376.34398

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(C(C(=O)NC(=S)N1)C#N)CC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1(C(C(=O)NC(=S)N1)C#N)CC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C15H12N4O6S/c1-25-13(22)15(10(7-16)12(21)17-14(26)18-15)6-11(20)8-3-2-4-9(5-8)19(23)24/h2-5,10H,6H2,1H3,(H2,17,18,21,26)