pyridin-1-ium-1-ylsulfanylmethyl (6S)-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: pyridin-1-ium-1-ylsulfanylmethyl (6S)-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: pyridin-1-ium-1-ylsulfanylmethyl (6S)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: (6S)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (1-pyridin-1-iumylthio)methyl ester IUPAC Name: pyridin-1-ium-1-ylsulfanylmethyl (6S)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: (6S)-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (pyridin-1-ium-1-ylthio)methyl ester Formula: C13H13N2O3S2+ MolecularWeight: 309.38392

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Descriptors Computed from Structure

Canonical SMILES:

C1C=C(N2C(S1)CC2=O)C(=O)OCS[N+]3=CC=CC=C3

Isomeric SMILES

C1C=C(N2[C@@H](S1)CC2=O)C(=O)OCS[N+]3=CC=CC=C3

InChI

InChI=1S/C13H13N2O3S2/c16-11-8-12-15(11)10(4-7-19-12)13(17)18-9-20-14-5-2-1-3-6-14/h1-6,12H,7-9H2/q+1/t12-/m0/s1