sodium 7-acetamido-3-(acetyloxymethyl)-7-oxidanyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: sodium 7-acetamido-3-(acetyloxymethyl)-7-oxidanyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: sodium 7-acetamido-3-(acetoxymethyl)-7-hydroxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: sodium 7-acetamido-3-(acetyloxymethyl)-7-hydroxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate IUPAC Name: sodium 7-acetamido-3-(acetyloxymethyl)-7-hydroxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: sodium 7-acetamido-3-(acetoxymethyl)-7-hydroxy-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Formula: C12H13N2NaO7S MolecularWeight: 352.29559

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1(C2N(C1=O)C(=C(CS2)COC(=O)C)C(=O)[O-])O.[Na+]

Isomeric SMILES

CC(=O)NC1(C2N(C1=O)C(=C(CS2)COC(=O)C)C(=O)[O-])O.[Na+]

InChI

InChI=1S/C12H14N2O7S.Na/c1-5(15)13-12(20)10(19)14-8(9(17)18)7(3-21-6(2)16)4-22-11(12)14;/h11,20H,3-4H2,1-2H3,(H,13,15)(H,17,18);/q;+1/p-1