sodium [2-acetamido-3-oxidanylidene-4-(pyridin-4-ylmethylsulfanyl)-1,2-oxazolidin-2-ium-2-yl] 5-oxidanylideneoxolane-2-carboxylate

Systemtic Name: sodium [2-acetamido-3-oxidanylidene-4-(pyridin-4-ylmethylsulfanyl)-1,2-oxazolidin-2-ium-2-yl] 5-oxidanylideneoxolane-2-carboxylate Openeye Name: sodium [2-acetamido-3-oxo-4-(4-pyridylmethylsulfanyl)isoxazolidin-2-ium-2-yl] 5-oxotetrahydrofuran-2-carboxylate CAS Name: sodium 5-oxo-2-oxolanecarboxylic acid [2-acetamido-3-oxo-4-(pyridin-4-ylmethylthio)-2-isoxazolidin-2-iumyl] ester IUPAC Name: sodium [2-acetamido-3-oxo-4-(pyridin-4-ylmethylsulfanyl)-1,2-oxazolidin-2-ium-2-yl] 5-oxooxolane-2-carboxylate Traditional Name: sodium 5-ketotetrahydrofuran-2-carboxylic acid [2-acetamido-3-keto-4-(4-pyridylmethylthio)isoxazolidin-2-ium-2-yl] ester Formula: C16H18N3NaO7S+2 MolecularWeight: 419.38479

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N[N+]1(C(=O)C(CO1)SCC2=CC=NC=C2)OC(=O)C3CCC(=O)O3.[Na+]

Isomeric SMILES

CC(=O)N[N+]1(C(=O)C(CO1)SCC2=CC=NC=C2)OC(=O)C3CCC(=O)O3.[Na+]

InChI

InChI=1S/C16H17N3O7S.Na/c1-10(20)18-19(26-16(23)12-2-3-14(21)25-12)15(22)13(8-24-19)27-9-11-4-6-17-7-5-11;/h4-7,12-13H,2-3,8-9H2,1H3;/q;+1/p+1