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

Systemtic Name: 8-oxidanylidene-3-(3-oxidanyl-3-oxidanylidene-1-pyridin-1-ium-1-ylsulfanyl-propyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 3-(3-hydroxy-3-oxo-1-pyridin-1-ium-1-ylsulfanyl-propyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 3-[3-hydroxy-3-oxo-1-(1-pyridin-1-iumylthio)propyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 3-(3-hydroxy-3-oxo-1-pyridin-1-ium-1-ylsulfanylpropyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 3-[3-hydroxy-3-keto-1-(pyridin-1-ium-1-ylthio)propyl]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C15H15N2O5S2+ MolecularWeight: 367.42

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Descriptors Computed from Structure

Canonical SMILES:

C1C2N(C1=O)C(=C(CS2)C(CC(=O)O)S[N+]3=CC=CC=C3)C(=O)O

Isomeric SMILES

C1C2N(C1=O)C(=C(CS2)C(CC(=O)O)S[N+]3=CC=CC=C3)C(=O)O

InChI

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