methyl 5-cyano-6-oxidanylidene-4-(2-oxidanylidene-2-thiophen-2-yl-ethyl)-2-sulfanylidene-1,3-diazinane-4-carboxylate

Systemtic Name: methyl 5-cyano-6-oxidanylidene-4-(2-oxidanylidene-2-thiophen-2-yl-ethyl)-2-sulfanylidene-1,3-diazinane-4-carboxylate Openeye Name: methyl 5-cyano-6-oxo-4-[2-oxo-2-(2-thienyl)ethyl]-2-thioxo-hexahydropyrimidine-4-carboxylate CAS Name: 5-cyano-6-oxo-4-(2-oxo-2-thiophen-2-ylethyl)-2-sulfanylidene-1,3-diazinane-4-carboxylic acid methyl ester IUPAC Name: methyl 5-cyano-6-oxo-4-(2-oxo-2-thiophen-2-ylethyl)-2-sulfanylidene-1,3-diazinane-4-carboxylate Traditional Name: 5-cyano-6-keto-4-[2-keto-2-(2-thienyl)ethyl]-2-thioxo-hexahydropyrimidine-4-carboxylic acid methyl ester Formula: C13H11N3O4S2 MolecularWeight: 337.37414

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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=CS2

Isomeric SMILES

COC(=O)C1(C(C(=O)NC(=S)N1)C#N)CC(=O)C2=CC=CS2

InChI

InChI=1S/C13H11N3O4S2/c1-20-11(19)13(5-8(17)9-3-2-4-22-9)7(6-14)10(18)15-12(21)16-13/h2-4,7H,5H2,1H3,(H2,15,16,18,21)