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

Systemtic Name: methyl 5-cyano-6-oxidanylidene-4-(2-oxidanylidenebut-3-enyl)-2-sulfanylidene-1,3-diazinane-4-carboxylate Openeye Name: methyl 5-cyano-6-oxo-4-(2-oxobut-3-enyl)-2-thioxo-hexahydropyrimidine-4-carboxylate CAS Name: 5-cyano-6-oxo-4-(2-oxobut-3-enyl)-2-sulfanylidene-1,3-diazinane-4-carboxylic acid methyl ester IUPAC Name: methyl 5-cyano-6-oxo-4-(2-oxobut-3-enyl)-2-sulfanylidene-1,3-diazinane-4-carboxylate Traditional Name: 5-cyano-6-keto-4-(2-ketobut-3-enyl)-2-thioxo-hexahydropyrimidine-4-carboxylic acid methyl ester Formula: C11H11N3O4S MolecularWeight: 281.28774

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H11N3O4S/c1-3-6(15)4-11(9(17)18-2)7(5-12)8(16)13-10(19)14-11/h3,7H,1,4H2,2H3,(H2,13,14,16,19)