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

Systemtic Name: methyl 5-cyano-6-oxidanylidene-4-(2-oxidanylidenebutyl)-2-sulfanylidene-1,3-diazinane-4-carboxylate Openeye Name: methyl 5-cyano-6-oxo-4-(2-oxobutyl)-2-thioxo-hexahydropyrimidine-4-carboxylate CAS Name: 5-cyano-6-oxo-4-(2-oxobutyl)-2-sulfanylidene-1,3-diazinane-4-carboxylic acid methyl ester IUPAC Name: methyl 5-cyano-6-oxo-4-(2-oxobutyl)-2-sulfanylidene-1,3-diazinane-4-carboxylate Traditional Name: 5-cyano-6-keto-4-(2-ketobutyl)-2-thioxo-hexahydropyrimidine-4-carboxylic acid methyl ester Formula: C11H13N3O4S MolecularWeight: 283.30362

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H13N3O4S/c1-3-6(15)4-11(9(17)18-2)7(5-12)8(16)13-10(19)14-11/h7H,3-4H2,1-2H3,(H2,13,14,16,19)