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

Systemtic Name: (6R,7R)-7-acetamido-3-(acetyloxymethyl)-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: (6R,7R)-7-acetamido-3-(acetoxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: (6R,7R)-7-acetamido-3-(acetyloxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate IUPAC Name: (6R,7R)-7-acetamido-3-(acetyloxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: (6R,7R)-7-acetamido-3-(acetoxymethyl)-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Formula: C12H13N2O6S- MolecularWeight: 313.30642

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1C2N(C1=O)C(=C(CS2)COC(=O)C)C(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C12H14N2O6S/c1-5(15)13-8-10(17)14-9(12(18)19)7(3-20-6(2)16)4-21-11(8)14/h8,11H,3-4H2,1-2H3,(H,13,15)(H,18,19)/p-1/t8-,11-/m1/s1