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

Systemtic Name: methyl 5-cyano-6-oxidanylidene-4-(2-oxidanylidenecyclooctyl)-2-sulfanylidene-1,3-diazinane-4-carboxylate Openeye Name: methyl 5-cyano-6-oxo-4-(2-oxocyclooctyl)-2-thioxo-hexahydropyrimidine-4-carboxylate CAS Name: 5-cyano-6-oxo-4-(2-oxocyclooctyl)-2-sulfanylidene-1,3-diazinane-4-carboxylic acid methyl ester IUPAC Name: methyl 5-cyano-6-oxo-4-(2-oxocyclooctyl)-2-sulfanylidene-1,3-diazinane-4-carboxylate Traditional Name: 5-cyano-6-keto-4-(2-ketocyclooctyl)-2-thioxo-hexahydropyrimidine-4-carboxylic acid methyl ester Formula: C15H19N3O4S MolecularWeight: 337.39406

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(C(C(=O)NC(=S)N1)C#N)C2CCCCCCC2=O

Isomeric SMILES

COC(=O)C1(C(C(=O)NC(=S)N1)C#N)C2CCCCCCC2=O

InChI

InChI=1S/C15H19N3O4S/c1-22-13(21)15(9-6-4-2-3-5-7-11(9)19)10(8-16)12(20)17-14(23)18-15/h9-10H,2-7H2,1H3,(H2,17,18,20,23)