pyrazin-2-ylmethylsulfanyl 8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: pyrazin-2-ylmethylsulfanyl 8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: pyrazin-2-ylmethylsulfanyl 8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (2-pyrazinylmethylthio) ester IUPAC Name: pyrazin-2-ylmethylsulfanyl 8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (pyrazin-2-ylmethylthio) ester Formula: C12H11N3O3S2 MolecularWeight: 309.36404

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Descriptors Computed from Structure

Canonical SMILES:

C1C=C(N2C(S1)CC2=O)C(=O)OSCC3=NC=CN=C3

Isomeric SMILES

C1C=C(N2C(S1)CC2=O)C(=O)OSCC3=NC=CN=C3

InChI

InChI=1S/C12H11N3O3S2/c16-10-5-11-15(10)9(1-4-19-11)12(17)18-20-7-8-6-13-2-3-14-8/h1-3,6,11H,4-5,7H2