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

Systemtic Name: ethyl 6-[[3-(methylsulfonylmethyl)phenyl]carbonyloxymethyl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 6-[[3-(methylsulfonylmethyl)benzoyl]oxymethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-[[[3-(methylsulfonylmethyl)phenyl]-oxomethoxy]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-[[3-(methylsulfonylmethyl)benzoyl]oxymethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 2-keto-6-[[3-(mesylmethyl)benzoyl]oxymethyl]-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)C2=CC(=CC=C2)CS(=O)(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C17H20N2O7S/c1-3-25-16(21)13-8-18-17(22)19-14(13)9-26-15(20)12-6-4-5-11(7-12)10-27(2,23)24/h4-7H,3,8-10H2,1-2H3,(H2,18,19,22)