8-oxidanylidene-7-[(4-oxidanylidene-3H-pyridin-6-yl)methylsulfanyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: 8-oxidanylidene-7-[(4-oxidanylidene-3H-pyridin-6-yl)methylsulfanyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: 8-oxo-7-[(4-oxo-3H-pyridin-6-yl)methylsulfanyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 8-oxo-7-[(4-oxo-3H-pyridin-6-yl)methylthio]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate IUPAC Name: 8-oxo-7-[(4-oxo-3H-pyridin-6-yl)methylsulfanyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 8-keto-7-[(4-keto-3H-pyridin-6-yl)methylthio]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Formula: C13H11N2O4S2- MolecularWeight: 323.36744

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Descriptors Computed from Structure

Canonical SMILES:

C1C=NC(=CC1=O)CSC2C3N(C2=O)C(=CCS3)C(=O)[O-]

Isomeric SMILES

C1C=NC(=CC1=O)CSC2C3N(C2=O)C(=CCS3)C(=O)[O-]

InChI

InChI=1S/C13H12N2O4S2/c16-8-1-3-14-7(5-8)6-21-10-11(17)15-9(13(18)19)2-4-20-12(10)15/h2-3,5,10,12H,1,4,6H2,(H,18,19)/p-1