ethyl (4R)-4-methyl-2-oxidanylidene-6-[3-(phenylsulfonyl)propanoyloxymethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl (4R)-4-methyl-2-oxidanylidene-6-[3-(phenylsulfonyl)propanoyloxymethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4R)-6-[3-(benzenesulfonyl)propanoyloxymethyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4R)-6-[[3-(benzenesulfonyl)-1-oxopropoxy]methyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4R)-6-[3-(benzenesulfonyl)propanoyloxymethyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4R)-6-(3-besylpropanoyloxymethyl)-2-keto-4-methyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C18H22N2O7S MolecularWeight: 410.44148

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C)COC(=O)CCS(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)N[C@@H]1C)COC(=O)CCS(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C18H22N2O7S/c1-3-26-17(22)16-12(2)19-18(23)20-14(16)11-27-15(21)9-10-28(24,25)13-7-5-4-6-8-13/h4-8,12H,3,9-11H2,1-2H3,(H2,19,20,23)/t12-/m1/s1