7-oxidanyl-8-oxidanylidene-3-(pyridin-4-ylsulfanylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 7-oxidanyl-8-oxidanylidene-3-(pyridin-4-ylsulfanylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-hydroxy-8-oxo-3-(4-pyridylsulfanylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-hydroxy-8-oxo-3-[(pyridin-4-ylthio)methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-hydroxy-8-oxo-3-(pyridin-4-ylsulfanylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-hydroxy-8-keto-3-[(4-pyridylthio)methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C13H12N2O4S2 MolecularWeight: 324.37538

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=C(N2C(S1)C(C2=O)O)C(=O)O)CSC3=CC=NC=C3

Isomeric SMILES

C1C(=C(N2C(S1)C(C2=O)O)C(=O)O)CSC3=CC=NC=C3

InChI

InChI=1S/C13H12N2O4S2/c16-10-11(17)15-9(13(18)19)7(6-21-12(10)15)5-20-8-1-3-14-4-2-8/h1-4,10,12,16H,5-6H2,(H,18,19)