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

Systemtic Name: ethyl 4-(4-chlorophenyl)-6-[(2-methylsulfonylphenyl)carbonyloxymethyl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 4-(4-chlorophenyl)-6-[(2-methylsulfonylbenzoyl)oxymethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-(4-chlorophenyl)-6-[[(2-methylsulfonylphenyl)-oxomethoxy]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-chlorophenyl)-6-[(2-methylsulfonylbenzoyl)oxymethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-(4-chlorophenyl)-2-keto-6-[(2-mesylbenzoyl)oxymethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C22H21ClN2O7S MolecularWeight: 492.92934

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21ClN2O7S/c1-3-31-21(27)18-16(24-22(28)25-19(18)13-8-10-14(23)11-9-13)12-32-20(26)15-6-4-5-7-17(15)33(2,29)30/h4-11,19H,3,12H2,1-2H3,(H2,24,25,28)