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

Systemtic Name: 7-oxidanyl-8-oxidanylidene-3-(pyrazin-2-ylsulfanylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-hydroxy-8-oxo-3-(pyrazin-2-ylsulfanylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-hydroxy-8-oxo-3-[(2-pyrazinylthio)methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-hydroxy-8-oxo-3-(pyrazin-2-ylsulfanylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-hydroxy-8-keto-3-[(pyrazin-2-ylthio)methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C12H11N3O4S2 MolecularWeight: 325.36344

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H11N3O4S2/c16-9-10(17)15-8(12(18)19)6(5-21-11(9)15)4-20-7-3-13-1-2-14-7/h1-3,9,11,16H,4-5H2,(H,18,19)