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

Systemtic Name: methyl 5-cyano-6-oxidanylidene-4-(2-oxidanylidene-3-phenyl-propyl)-2-sulfanylidene-1,3-diazinane-4-carboxylate Openeye Name: methyl 5-cyano-6-oxo-4-(2-oxo-3-phenyl-propyl)-2-thioxo-hexahydropyrimidine-4-carboxylate CAS Name: 5-cyano-6-oxo-4-(2-oxo-3-phenylpropyl)-2-sulfanylidene-1,3-diazinane-4-carboxylic acid methyl ester IUPAC Name: methyl 5-cyano-6-oxo-4-(2-oxo-3-phenylpropyl)-2-sulfanylidene-1,3-diazinane-4-carboxylate Traditional Name: 5-cyano-6-keto-4-(2-keto-3-phenyl-propyl)-2-thioxo-hexahydropyrimidine-4-carboxylic acid methyl ester Formula: C16H15N3O4S MolecularWeight: 345.373

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(C(C(=O)NC(=S)N1)C#N)CC(=O)CC2=CC=CC=C2

Isomeric SMILES

COC(=O)C1(C(C(=O)NC(=S)N1)C#N)CC(=O)CC2=CC=CC=C2

InChI

InChI=1S/C16H15N3O4S/c1-23-14(22)16(12(9-17)13(21)18-15(24)19-16)8-11(20)7-10-5-3-2-4-6-10/h2-6,12H,7-8H2,1H3,(H2,18,19,21,24)