7-oxidanylidene-3-(pyridin-2-ylmethylsulfanyl)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

Systemtic Name: 7-oxidanylidene-3-(pyridin-2-ylmethylsulfanyl)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Openeye Name: 7-oxo-3-(2-pyridylmethylsulfanyl)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid CAS Name: 7-oxo-3-(2-pyridinylmethylthio)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid IUPAC Name: 7-oxo-3-(pyridin-2-ylmethylsulfanyl)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Traditional Name: 7-keto-3-(2-pyridylmethylthio)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Formula: C13H12N2O3S MolecularWeight: 276.31098

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC(=O)N2C(=C1SCC3=CC=CC=N3)C(=O)O

Isomeric SMILES

C1C2CC(=O)N2C(=C1SCC3=CC=CC=N3)C(=O)O

InChI

InChI=1S/C13H12N2O3S/c16-11-6-9-5-10(12(13(17)18)15(9)11)19-7-8-3-1-2-4-14-8/h1-4,9H,5-7H2,(H,17,18)