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

Systemtic Name: ethyl 4-ethyl-2-oxidanylidene-6-[[1-(phenylsulfonyl)cyclopentyl]carbonyloxymethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 6-[[1-(benzenesulfonyl)cyclopentanecarbonyl]oxymethyl]-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-[[[1-(benzenesulfonyl)cyclopentyl]-oxomethoxy]methyl]-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-[[1-(benzenesulfonyl)cyclopentanecarbonyl]oxymethyl]-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 6-[(1-besylcyclopentanecarbonyl)oxymethyl]-4-ethyl-2-keto-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C22H28N2O7S MolecularWeight: 464.53192

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=C(NC(=O)N1)COC(=O)C2(CCCC2)S(=O)(=O)C3=CC=CC=C3)C(=O)OCC

Isomeric SMILES

CCC1C(=C(NC(=O)N1)COC(=O)C2(CCCC2)S(=O)(=O)C3=CC=CC=C3)C(=O)OCC

InChI

InChI=1S/C22H28N2O7S/c1-3-16-18(19(25)30-4-2)17(24-21(27)23-16)14-31-20(26)22(12-8-9-13-22)32(28,29)15-10-6-5-7-11-15/h5-7,10-11,16H,3-4,8-9,12-14H2,1-2H3,(H2,23,24,27)