sodium (6R,7Z)-3-(acetyloxymethyl)-8-oxidanylidene-7-(2-oxidanylidenepropylidene)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: sodium (6R,7Z)-3-(acetyloxymethyl)-8-oxidanylidene-7-(2-oxidanylidenepropylidene)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: sodium (6R,7Z)-7-acetonylidene-3-(acetoxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: sodium (6R,7Z)-3-(acetyloxymethyl)-8-oxo-7-(2-oxopropylidene)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate IUPAC Name: sodium (6R,7Z)-3-(acetyloxymethyl)-8-oxo-7-(2-oxopropylidene)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: sodium (6R,7Z)-7-acetonylidene-3-(acetoxymethyl)-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Formula: C13H12NNaO6S MolecularWeight: 333.29225

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C=C1C2N(C1=O)C(=C(CS2)COC(=O)C)C(=O)[O-].[Na+]

Isomeric SMILES

CC(=O)/C=C/1\[C@@H]2N(C1=O)C(=C(CS2)COC(=O)C)C(=O)[O-].[Na+]

InChI

InChI=1S/C13H13NO6S.Na/c1-6(15)3-9-11(17)14-10(13(18)19)8(4-20-7(2)16)5-21-12(9)14;/h3,12H,4-5H2,1-2H3,(H,18,19);/q;+1/p-1/b9-3-;/t12-;/m1./s1