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

Systemtic Name: methyl 5-cyano-6-oxidanylidene-4-(2-oxidanylidenecyclododecyl)-2-sulfanylidene-1,3-diazinane-4-carboxylate Openeye Name: methyl 5-cyano-6-oxo-4-(2-oxocyclododecyl)-2-thioxo-hexahydropyrimidine-4-carboxylate CAS Name: 5-cyano-6-oxo-4-(2-oxocyclododecyl)-2-sulfanylidene-1,3-diazinane-4-carboxylic acid methyl ester IUPAC Name: methyl 5-cyano-6-oxo-4-(2-oxocyclododecyl)-2-sulfanylidene-1,3-diazinane-4-carboxylate Traditional Name: 5-cyano-6-keto-4-(2-ketocyclododecyl)-2-thioxo-hexahydropyrimidine-4-carboxylic acid methyl ester Formula: C19H27N3O4S MolecularWeight: 393.50038

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(C(C(=O)NC(=S)N1)C#N)C2CCCCCCCCCCC2=O

Isomeric SMILES

COC(=O)C1(C(C(=O)NC(=S)N1)C#N)C2CCCCCCCCCCC2=O

InChI

InChI=1S/C19H27N3O4S/c1-26-17(25)19(14(12-20)16(24)21-18(27)22-19)13-10-8-6-4-2-3-5-7-9-11-15(13)23/h13-14H,2-11H2,1H3,(H2,21,22,24,27)