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

Systemtic Name: sodium (6R,7R)-3-(acetyloxymethyl)-7-(1-hydroxyethyl)-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: sodium (6R,7R)-3-(acetoxymethyl)-7-(1-hydroxyethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: sodium (6R,7R)-3-(acetyloxymethyl)-7-(1-hydroxyethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate IUPAC Name: sodium (6R,7R)-3-(acetyloxymethyl)-7-(1-hydroxyethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: sodium (6R,7R)-3-(acetoxymethyl)-7-(1-hydroxyethyl)-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Formula: C12H14NNaO6S MolecularWeight: 323.29743

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15NO6S.Na/c1-5(14)8-10(16)13-9(12(17)18)7(3-19-6(2)15)4-20-11(8)13;/h5,8,11,14H,3-4H2,1-2H3,(H,17,18);/q;+1/p-1/t5?,8-,11-;/m1./s1