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

Systemtic Name: methyl 5-cyano-6-oxidanylidene-4-(1-oxidanylidene-1-phenyl-butan-2-yl)-2-sulfanylidene-1,3-diazinane-4-carboxylate Openeye Name: methyl 4-(1-benzoylpropyl)-5-cyano-6-oxo-2-thioxo-hexahydropyrimidine-4-carboxylate CAS Name: 5-cyano-6-oxo-4-(1-oxo-1-phenylbutan-2-yl)-2-sulfanylidene-1,3-diazinane-4-carboxylic acid methyl ester IUPAC Name: methyl 5-cyano-6-oxo-4-(1-oxo-1-phenylbutan-2-yl)-2-sulfanylidene-1,3-diazinane-4-carboxylate Traditional Name: 4-(1-benzoylpropyl)-5-cyano-6-keto-2-thioxo-hexahydropyrimidine-4-carboxylic acid methyl ester Formula: C17H17N3O4S MolecularWeight: 359.39958

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)C1=CC=CC=C1)C2(C(C(=O)NC(=S)N2)C#N)C(=O)OC

Isomeric SMILES

CCC(C(=O)C1=CC=CC=C1)C2(C(C(=O)NC(=S)N2)C#N)C(=O)OC

InChI

InChI=1S/C17H17N3O4S/c1-3-11(13(21)10-7-5-4-6-8-10)17(15(23)24-2)12(9-18)14(22)19-16(25)20-17/h4-8,11-12H,3H2,1-2H3,(H2,19,20,22,25)