7-[azanyl(pyridin-1-ium-1-ylsulfanyl)methyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: 7-[azanyl(pyridin-1-ium-1-ylsulfanyl)methyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: 7-[amino(pyridin-1-ium-1-ylsulfanyl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 7-[amino-(1-pyridin-1-iumylthio)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate IUPAC Name: 7-[amino(pyridin-1-ium-1-ylsulfanyl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 7-[amino-(pyridin-1-ium-1-ylthio)methyl]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Formula: C13H13N3O3S2 MolecularWeight: 323.39062

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Descriptors Computed from Structure

Canonical SMILES:

C1C=C(N2C(S1)C(C2=O)C(N)S[N+]3=CC=CC=C3)C(=O)[O-]

Isomeric SMILES

C1C=C(N2C(S1)C(C2=O)C(N)S[N+]3=CC=CC=C3)C(=O)[O-]

InChI

InChI=1S/C13H13N3O3S2/c14-10(21-15-5-2-1-3-6-15)9-11(17)16-8(13(18)19)4-7-20-12(9)16/h1-6,9-10,12H,7,14H2