ethyl (4S)-4-ethyl-6-[(1-oxidanidylpyridin-1-ium-4-yl)carbonyloxymethyl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl (4S)-4-ethyl-6-[(1-oxidanidylpyridin-1-ium-4-yl)carbonyloxymethyl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4S)-4-ethyl-6-[(1-oxidopyridin-1-ium-4-carbonyl)oxymethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-4-ethyl-6-[[(1-oxido-4-pyridin-1-iumyl)-oxomethoxy]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-4-ethyl-6-[(1-oxidopyridin-1-ium-4-carbonyl)oxymethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-4-ethyl-2-keto-6-[(1-oxidopyridin-1-ium-4-carbonyl)oxymethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C16H19N3O6 MolecularWeight: 349.33856

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=C(NC(=O)N1)COC(=O)C2=CC=[N+](C=C2)[O-])C(=O)OCC

Isomeric SMILES

CC[C@H]1C(=C(NC(=O)N1)COC(=O)C2=CC=[N+](C=C2)[O-])C(=O)OCC

InChI

InChI=1S/C16H19N3O6/c1-3-11-13(15(21)24-4-2)12(18-16(22)17-11)9-25-14(20)10-5-7-19(23)8-6-10/h5-8,11H,3-4,9H2,1-2H3,(H2,17,18,22)/t11-/m0/s1