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

Systemtic Name: methyl 5-cyano-6-oxidanylidene-4-(2-oxidanylidene-3,3-diphenyl-propyl)-2-sulfanylidene-1,3-diazinane-4-carboxylate Openeye Name: methyl 5-cyano-6-oxo-4-(2-oxo-3,3-diphenyl-propyl)-2-thioxo-hexahydropyrimidine-4-carboxylate CAS Name: 5-cyano-6-oxo-4-(2-oxo-3,3-diphenylpropyl)-2-sulfanylidene-1,3-diazinane-4-carboxylic acid methyl ester IUPAC Name: methyl 5-cyano-6-oxo-4-(2-oxo-3,3-diphenylpropyl)-2-sulfanylidene-1,3-diazinane-4-carboxylate Traditional Name: 5-cyano-6-keto-4-(2-keto-3,3-diphenyl-propyl)-2-thioxo-hexahydropyrimidine-4-carboxylic acid methyl ester Formula: C22H19N3O4S MolecularWeight: 421.46896

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(C(C(=O)NC(=S)N1)C#N)CC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C1(C(C(=O)NC(=S)N1)C#N)CC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C22H19N3O4S/c1-29-20(28)22(16(13-23)19(27)24-21(30)25-22)12-17(26)18(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-11,16,18H,12H2,1H3,(H2,24,25,27,30)