sodium (6R,7E)-3-(acetyloxymethyl)-7-(bromanylmethylidene)-5,5,8-tris(oxidanylidene)-5$l^{6}-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: sodium (6R,7E)-3-(acetyloxymethyl)-7-(bromanylmethylidene)-5,5,8-tris(oxidanylidene)-5$l^{6}-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: sodium (6R,7E)-3-(acetoxymethyl)-7-(bromomethylene)-5,5,8-trioxo-5$l^{6}-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: sodium (6R,7E)-3-(acetyloxymethyl)-7-(bromomethylidene)-5,5,8-trioxo-5$l^{6}-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate IUPAC Name: sodium (6R,7E)-3-(acetyloxymethyl)-7-(bromomethylidene)-5,5,8-trioxo-5$l^{6}-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: sodium (6R,7E)-3-(acetoxymethyl)-7-(bromomethylene)-5,5,8-triketo-5$l^{6}-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Formula: C11H9BrNNaO7S MolecularWeight: 402.15043

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1=C(N2C(C(=CBr)C2=O)S(=O)(=O)C1)C(=O)[O-].[Na+]

Isomeric SMILES

CC(=O)OCC1=C(N2[C@@H](/C(=C/Br)/C2=O)S(=O)(=O)C1)C(=O)[O-].[Na+]

InChI

InChI=1S/C11H10BrNO7S.Na/c1-5(14)20-3-6-4-21(18,19)10-7(2-12)9(15)13(10)8(6)11(16)17;/h2,10H,3-4H2,1H3,(H,16,17);/q;+1/p-1/b7-2+;/t10-;/m1./s1