sodium [3-oxidanylidene-4-(2-phenylethanethioylamino)-1,2-oxazolidin-2-yl] 5-oxidanylideneoxolane-2-carboxylate

Systemtic Name: sodium [3-oxidanylidene-4-(2-phenylethanethioylamino)-1,2-oxazolidin-2-yl] 5-oxidanylideneoxolane-2-carboxylate Openeye Name: sodium [3-oxo-4-[(2-phenylethanethioyl)amino]isoxazolidin-2-yl] 5-oxotetrahydrofuran-2-carboxylate CAS Name: sodium 5-oxo-2-oxolanecarboxylic acid [3-oxo-4-[(2-phenyl-1-sulfanylideneethyl)amino]-2-isoxazolidinyl] ester IUPAC Name: sodium [3-oxo-4-[(2-phenylethanethioyl)amino]-1,2-oxazolidin-2-yl] 5-oxooxolane-2-carboxylate Traditional Name: sodium 5-ketotetrahydrofuran-2-carboxylic acid [3-keto-4-[(2-phenylthioacetyl)amino]isoxazolidin-2-yl] ester Formula: C16H16N2NaO6S+ MolecularWeight: 387.36281

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)OC1C(=O)ON2C(=O)C(CO2)NC(=S)CC3=CC=CC=C3.[Na+]

Isomeric SMILES

C1CC(=O)OC1C(=O)ON2C(=O)C(CO2)NC(=S)CC3=CC=CC=C3.[Na+]

InChI

InChI=1S/C16H16N2O6S.Na/c19-14-7-6-12(23-14)16(21)24-18-15(20)11(9-22-18)17-13(25)8-10-4-2-1-3-5-10;/h1-5,11-12H,6-9H2,(H,17,25);/q;+1