(2-acetamido-3-oxidanylidene-4-pyrimidin-2-ylsulfanyl-1,2-oxazolidin-2-ium-2-yl) 5-oxidanylideneoxolane-2-carboxylate

Systemtic Name: (2-acetamido-3-oxidanylidene-4-pyrimidin-2-ylsulfanyl-1,2-oxazolidin-2-ium-2-yl) 5-oxidanylideneoxolane-2-carboxylate Openeye Name: (2-acetamido-3-oxo-4-pyrimidin-2-ylsulfanyl-isoxazolidin-2-ium-2-yl) 5-oxotetrahydrofuran-2-carboxylate CAS Name: 5-oxo-2-oxolanecarboxylic acid [2-acetamido-3-oxo-4-(2-pyrimidinylthio)-2-isoxazolidin-2-iumyl] ester IUPAC Name: (2-acetamido-3-oxo-4-pyrimidin-2-ylsulfanyl-1,2-oxazolidin-2-ium-2-yl) 5-oxooxolane-2-carboxylate Traditional Name: 5-ketotetrahydrofuran-2-carboxylic acid [2-acetamido-3-keto-4-(2-pyrimidylthio)isoxazolidin-2-ium-2-yl] ester Formula: C14H15N4O7S+ MolecularWeight: 383.3565

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N[N+]1(C(=O)C(CO1)SC2=NC=CC=N2)OC(=O)C3CCC(=O)O3

Isomeric SMILES

CC(=O)N[N+]1(C(=O)C(CO1)SC2=NC=CC=N2)OC(=O)C3CCC(=O)O3

InChI

InChI=1S/C14H14N4O7S/c1-8(19)17-18(25-13(22)9-3-4-11(20)24-9)12(21)10(7-23-18)26-14-15-5-2-6-16-14/h2,5-6,9-10H,3-4,7H2,1H3/p+1