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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15N3O4S/c1-9(12(20)10-6-4-3-5-7-10)16(14(22)23-2)11(8-17)13(21)18-15(24)19-16/h3-7,9,11H,1-2H3,(H2,18,19,21,24)