8-oxidanylidene-7-(3-oxidanyl-3-oxidanylidene-1-pyridin-1-ium-1-ylsulfanyl-propyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: 8-oxidanylidene-7-(3-oxidanyl-3-oxidanylidene-1-pyridin-1-ium-1-ylsulfanyl-propyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: 7-(3-hydroxy-3-oxo-1-pyridin-1-ium-1-ylsulfanyl-propyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 7-[3-hydroxy-3-oxo-1-(1-pyridin-1-iumylthio)propyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate IUPAC Name: 7-(3-hydroxy-3-oxo-1-pyridin-1-ium-1-ylsulfanylpropyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 7-[3-hydroxy-3-keto-1-(pyridin-1-ium-1-ylthio)propyl]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Formula: C15H14N2O5S2 MolecularWeight: 366.41206

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H14N2O5S2/c18-11(19)8-10(24-16-5-2-1-3-6-16)12-13(20)17-9(15(21)22)4-7-23-14(12)17/h1-6,10,12,14H,7-8H2,(H-,18,19,21,22)