8-oxidanylidene-4-(pyridin-4-ylsulfanylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 8-oxidanylidene-4-(pyridin-4-ylsulfanylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 8-oxo-4-(4-pyridylsulfanylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 8-oxo-4-[(pyridin-4-ylthio)methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 8-oxo-4-(pyridin-4-ylsulfanylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 8-keto-4-[(4-pyridylthio)methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C13H12N2O3S2 MolecularWeight: 308.37598

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Descriptors Computed from Structure

Canonical SMILES:

C1C2N(C1=O)C(=CC(S2)CSC3=CC=NC=C3)C(=O)O

Isomeric SMILES

C1C2N(C1=O)C(=CC(S2)CSC3=CC=NC=C3)C(=O)O

InChI

InChI=1S/C13H12N2O3S2/c16-11-6-12-15(11)10(13(17)18)5-9(20-12)7-19-8-1-3-14-4-2-8/h1-5,9,12H,6-7H2,(H,17,18)