7-methanethioyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate iodide

Systemtic Name: 7-methanethioyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate iodide Openeye Name: 7-methanethioyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate iodide CAS Name: 7-methanethioyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate iodide IUPAC Name: 7-methanethioyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate iodide Traditional Name: 8-keto-7-thioformyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate iodide Formula: C8H6INO3S2-2 MolecularWeight: 355.17261

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Descriptors Computed from Structure

Canonical SMILES:

C1C=C(N2C(S1)C(C2=O)C=S)C(=O)[O-].[I-]

Isomeric SMILES

C1C=C(N2C(S1)C(C2=O)C=S)C(=O)[O-].[I-]

InChI

InChI=1S/C8H7NO3S2.HI/c10-6-4(3-13)7-9(6)5(8(11)12)1-2-14-7;/h1,3-4,7H,2H2,(H,11,12);1H/p-2