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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21N3O4S/c1-4-5-6-7-11(19)9(2)15(13(21)22-3)10(8-16)12(20)17-14(23)18-15/h9-10H,4-7H2,1-3H3,(H2,17,18,20,23)