7-[(1-oxidanidylpyridin-1-ium-4-yl)sulfanylmethyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: 7-[(1-oxidanidylpyridin-1-ium-4-yl)sulfanylmethyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: 7-[(1-oxidopyridin-1-ium-4-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 7-[[(1-oxido-4-pyridin-1-iumyl)thio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate IUPAC Name: 7-[(1-oxidopyridin-1-ium-4-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 8-keto-7-[[(1-oxidopyridin-1-ium-4-yl)thio]methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Formula: C13H11N2O4S2- MolecularWeight: 323.36744

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Descriptors Computed from Structure

Canonical SMILES:

C1C=C(N2C(S1)C(C2=O)CSC3=CC=[N+](C=C3)[O-])C(=O)[O-]

Isomeric SMILES

C1C=C(N2C(S1)C(C2=O)CSC3=CC=[N+](C=C3)[O-])C(=O)[O-]

InChI

InChI=1S/C13H12N2O4S2/c16-11-9(7-21-8-1-4-14(19)5-2-8)12-15(11)10(13(17)18)3-6-20-12/h1-5,9,12H,6-7H2,(H,17,18)/p-1