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

Systemtic Name: methyl 5-cyano-4-(1-methoxycarbonyl-2-oxidanylidene-cyclopentyl)-6-oxidanylidene-2-sulfanylidene-1,3-diazinane-4-carboxylate Openeye Name: methyl 5-cyano-4-(1-methoxycarbonyl-2-oxo-cyclopentyl)-6-oxo-2-thioxo-hexahydropyrimidine-4-carboxylate CAS Name: 5-cyano-4-(1-methoxycarbonyl-2-oxocyclopentyl)-6-oxo-2-sulfanylidene-1,3-diazinane-4-carboxylic acid methyl ester IUPAC Name: methyl 5-cyano-4-(1-methoxycarbonyl-2-oxocyclopentyl)-6-oxo-2-sulfanylidene-1,3-diazinane-4-carboxylate Traditional Name: 4-(1-carbomethoxy-2-keto-cyclopentyl)-5-cyano-6-keto-2-thioxo-hexahydropyrimidine-4-carboxylic acid methyl ester Formula: C14H15N3O6S MolecularWeight: 353.3504

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CCCC1=O)C2(C(C(=O)NC(=S)N2)C#N)C(=O)OC

Isomeric SMILES

COC(=O)C1(CCCC1=O)C2(C(C(=O)NC(=S)N2)C#N)C(=O)OC

InChI

InChI=1S/C14H15N3O6S/c1-22-10(20)13(5-3-4-8(13)18)14(11(21)23-2)7(6-15)9(19)16-12(24)17-14/h7H,3-5H2,1-2H3,(H2,16,17,19,24)