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

Systemtic Name: ethyl 6-[(2-methylsulfonylphenyl)carbonyloxymethyl]-2-oxidanylidene-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 6-[(2-methylsulfonylbenzoyl)oxymethyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-[[(2-methylsulfonylphenyl)-oxomethoxy]methyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-[(2-methylsulfonylbenzoyl)oxymethyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 2-keto-6-[(2-mesylbenzoyl)oxymethyl]-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C22H22N2O7S MolecularWeight: 458.48428

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C2=CC=CC=C2)COC(=O)C3=CC=CC=C3S(=O)(=O)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)NC1C2=CC=CC=C2)COC(=O)C3=CC=CC=C3S(=O)(=O)C

InChI

InChI=1S/C22H22N2O7S/c1-3-30-21(26)18-16(23-22(27)24-19(18)14-9-5-4-6-10-14)13-31-20(25)15-11-7-8-12-17(15)32(2,28)29/h4-12,19H,3,13H2,1-2H3,(H2,23,24,27)