8-oxidanylidene-7-pyridin-4-ylsulfanyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: 8-oxidanylidene-7-pyridin-4-ylsulfanyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: 8-oxo-7-(4-pyridylsulfanyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 8-oxo-7-(pyridin-4-ylthio)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate IUPAC Name: 8-oxo-7-pyridin-4-ylsulfanyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 8-keto-7-(4-pyridylthio)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Formula: C12H9N2O3S2- MolecularWeight: 293.34146

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Descriptors Computed from Structure

Canonical SMILES:

C1C=C(N2C(S1)C(C2=O)SC3=CC=NC=C3)C(=O)[O-]

Isomeric SMILES

C1C=C(N2C(S1)C(C2=O)SC3=CC=NC=C3)C(=O)[O-]

InChI

InChI=1S/C12H10N2O3S2/c15-10-9(19-7-1-4-13-5-2-7)11-14(10)8(12(16)17)3-6-18-11/h1-5,9,11H,6H2,(H,16,17)/p-1