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

Systemtic Name: methyl 5-cyano-4-(4-methyl-2-oxidanylidene-pent-3-enyl)-6-oxidanylidene-2-sulfanylidene-1,3-diazinane-4-carboxylate Openeye Name: methyl 5-cyano-4-(4-methyl-2-oxo-pent-3-enyl)-6-oxo-2-thioxo-hexahydropyrimidine-4-carboxylate CAS Name: 5-cyano-4-(4-methyl-2-oxopent-3-enyl)-6-oxo-2-sulfanylidene-1,3-diazinane-4-carboxylic acid methyl ester IUPAC Name: methyl 5-cyano-4-(4-methyl-2-oxopent-3-enyl)-6-oxo-2-sulfanylidene-1,3-diazinane-4-carboxylate Traditional Name: 5-cyano-6-keto-4-(2-keto-4-methyl-pent-3-enyl)-2-thioxo-hexahydropyrimidine-4-carboxylic acid methyl ester Formula: C13H15N3O4S MolecularWeight: 309.3409

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15N3O4S/c1-7(2)4-8(17)5-13(11(19)20-3)9(6-14)10(18)15-12(21)16-13/h4,9H,5H2,1-3H3,(H2,15,16,18,21)