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

Systemtic Name: methyl 5-cyano-6-oxidanylidene-4-(4-oxidanylideneheptan-3-yl)-2-sulfanylidene-1,3-diazinane-4-carboxylate Openeye Name: methyl 5-cyano-4-(1-ethyl-2-oxo-pentyl)-6-oxo-2-thioxo-hexahydropyrimidine-4-carboxylate CAS Name: 5-cyano-6-oxo-4-(4-oxoheptan-3-yl)-2-sulfanylidene-1,3-diazinane-4-carboxylic acid methyl ester IUPAC Name: methyl 5-cyano-6-oxo-4-(4-oxoheptan-3-yl)-2-sulfanylidene-1,3-diazinane-4-carboxylate Traditional Name: 5-cyano-4-(1-ethyl-2-keto-pentyl)-6-keto-2-thioxo-hexahydropyrimidine-4-carboxylic acid methyl ester Formula: C14H19N3O4S MolecularWeight: 325.38336

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C(CC)C1(C(C(=O)NC(=S)N1)C#N)C(=O)OC

Isomeric SMILES

CCCC(=O)C(CC)C1(C(C(=O)NC(=S)N1)C#N)C(=O)OC

InChI

InChI=1S/C14H19N3O4S/c1-4-6-10(18)8(5-2)14(12(20)21-3)9(7-15)11(19)16-13(22)17-14/h8-9H,4-6H2,1-3H3,(H2,16,17,19,22)