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

Systemtic Name: ethyl (4S)-4-methyl-6-[2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanylethanoyloxymethyl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4S)-4-methyl-6-[[2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetyl]oxymethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-4-methyl-6-[[2-[(1-oxido-2-pyridin-1-iumyl)thio]-1-oxoethoxy]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-4-methyl-6-[[2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetyl]oxymethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-2-keto-4-methyl-6-[[2-[(1-oxidopyridin-1-ium-2-yl)thio]acetyl]oxymethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C16H19N3O6S MolecularWeight: 381.40356

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C)COC(=O)CSC2=CC=CC=[N+]2[O-]

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)N[C@H]1C)COC(=O)CSC2=CC=CC=[N+]2[O-]

InChI

InChI=1S/C16H19N3O6S/c1-3-24-15(21)14-10(2)17-16(22)18-11(14)8-25-13(20)9-26-12-6-4-5-7-19(12)23/h4-7,10H,3,8-9H2,1-2H3,(H2,17,18,22)/t10-/m0/s1