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

Systemtic Name: ethyl 2-oxidanylidene-6-[3-(phenylsulfonyl)propanoyloxymethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 6-[3-(benzenesulfonyl)propanoyloxymethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-[[3-(benzenesulfonyl)-1-oxopropoxy]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-[3-(benzenesulfonyl)propanoyloxymethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 6-(3-besylpropanoyloxymethyl)-2-keto-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C17H20N2O7S MolecularWeight: 396.4149

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1)COC(=O)CCS(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)NC1)COC(=O)CCS(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C17H20N2O7S/c1-2-25-16(21)13-10-18-17(22)19-14(13)11-26-15(20)8-9-27(23,24)12-6-4-3-5-7-12/h3-7H,2,8-11H2,1H3,(H2,18,19,22)