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

Systemtic Name: methyl 5-cyano-4-(methylsulfonylmethyl)-6-oxidanylidene-2-sulfanylidene-1,3-diazinane-4-carboxylate Openeye Name: methyl 5-cyano-4-(methylsulfonylmethyl)-6-oxo-2-thioxo-hexahydropyrimidine-4-carboxylate CAS Name: 5-cyano-4-(methylsulfonylmethyl)-6-oxo-2-sulfanylidene-1,3-diazinane-4-carboxylic acid methyl ester IUPAC Name: methyl 5-cyano-4-(methylsulfonylmethyl)-6-oxo-2-sulfanylidene-1,3-diazinane-4-carboxylate Traditional Name: 5-cyano-6-keto-4-(mesylmethyl)-2-thioxo-hexahydropyrimidine-4-carboxylic acid methyl ester Formula: C9H11N3O5S2 MolecularWeight: 305.33074

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(C(C(=O)NC(=S)N1)C#N)CS(=O)(=O)C

Isomeric SMILES

COC(=O)C1(C(C(=O)NC(=S)N1)C#N)CS(=O)(=O)C

InChI

InChI=1S/C9H11N3O5S2/c1-17-7(14)9(4-19(2,15)16)5(3-10)6(13)11-8(18)12-9/h5H,4H2,1-2H3,(H2,11,12,13,18)