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

Systemtic Name: sodium (7S)-3-(acetyloxymethyl)-8-oxidanylidene-7-(sulfanylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: sodium (7S)-3-(acetoxymethyl)-8-oxo-7-(sulfanylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: sodium (7S)-3-(acetyloxymethyl)-7-(mercaptomethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate IUPAC Name: sodium (7S)-3-(acetyloxymethyl)-8-oxo-7-(sulfanylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: sodium (7S)-3-(acetoxymethyl)-8-keto-7-(mercaptomethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Formula: C11H12NNaO5S2 MolecularWeight: 325.33645

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1=C(N2C(C(C2=O)CS)SC1)C(=O)[O-].[Na+]

Isomeric SMILES

CC(=O)OCC1=C(N2C([C@@H](C2=O)CS)SC1)C(=O)[O-].[Na+]

InChI

InChI=1S/C11H13NO5S2.Na/c1-5(13)17-2-6-4-19-10-7(3-18)9(14)12(10)8(6)11(15)16;/h7,10,18H,2-4H2,1H3,(H,15,16);/q;+1/p-1/t7-,10?;/m1./s1