ethyl 6-[[2-(cyanomethylsulfanyl)phenyl]carbonyloxymethyl]-2-oxidanylidene-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 6-[[2-(cyanomethylsulfanyl)phenyl]carbonyloxymethyl]-2-oxidanylidene-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 6-[[2-(cyanomethylsulfanyl)benzoyl]oxymethyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-[[[2-(cyanomethylthio)phenyl]-oxomethoxy]methyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-[[2-(cyanomethylsulfanyl)benzoyl]oxymethyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 6-[[2-(cyanomethylthio)benzoyl]oxymethyl]-2-keto-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C23H21N3O5S MolecularWeight: 451.49494

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C2=CC=CC=C2)COC(=O)C3=CC=CC=C3SCC#N

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)NC1C2=CC=CC=C2)COC(=O)C3=CC=CC=C3SCC#N

InChI

InChI=1S/C23H21N3O5S/c1-2-30-22(28)19-17(25-23(29)26-20(19)15-8-4-3-5-9-15)14-31-21(27)16-10-6-7-11-18(16)32-13-12-24/h3-11,20H,2,13-14H2,1H3,(H2,25,26,29)