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

Systemtic Name: methyl 5-cyano-6-oxidanylidene-4-(2-oxidanylideneoctyl)-2-sulfanylidene-1,3-diazinane-4-carboxylate Openeye Name: methyl 5-cyano-6-oxo-4-(2-oxooctyl)-2-thioxo-hexahydropyrimidine-4-carboxylate CAS Name: 5-cyano-6-oxo-4-(2-oxooctyl)-2-sulfanylidene-1,3-diazinane-4-carboxylic acid methyl ester IUPAC Name: methyl 5-cyano-6-oxo-4-(2-oxooctyl)-2-sulfanylidene-1,3-diazinane-4-carboxylate Traditional Name: 5-cyano-6-keto-4-(2-ketooctyl)-2-thioxo-hexahydropyrimidine-4-carboxylic acid methyl ester Formula: C15H21N3O4S MolecularWeight: 339.40994

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=O)CC1(C(C(=O)NC(=S)N1)C#N)C(=O)OC

Isomeric SMILES

CCCCCCC(=O)CC1(C(C(=O)NC(=S)N1)C#N)C(=O)OC

InChI

InChI=1S/C15H21N3O4S/c1-3-4-5-6-7-10(19)8-15(13(21)22-2)11(9-16)12(20)17-14(23)18-15/h11H,3-8H2,1-2H3,(H2,17,18,20,23)