(7E)-8-oxidanylidene-7-(pyridin-2-ylmethylidene)-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylate

Systemtic Name: (7E)-8-oxidanylidene-7-(pyridin-2-ylmethylidene)-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylate Openeye Name: (7E)-8-oxo-7-(2-pyridylmethylene)-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylate CAS Name: (7E)-8-oxo-7-(2-pyridinylmethylidene)-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylate IUPAC Name: (7E)-8-oxo-7-(pyridin-2-ylmethylidene)-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylate Traditional Name: (7E)-8-keto-7-(2-pyridylmethylene)-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylate Formula: C13H9N2O3S- MolecularWeight: 273.28716

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)C=C2C3N(C2=O)C(C=CS3)C(=O)[O-]

Isomeric SMILES

C1=CC=NC(=C1)/C=C\2/C3N(C2=O)C(C=CS3)C(=O)[O-]

InChI

InChI=1S/C13H10N2O3S/c16-11-9(7-8-3-1-2-5-14-8)12-15(11)10(13(17)18)4-6-19-12/h1-7,10,12H,(H,17,18)/p-1/b9-7+