7-methylsulfanyl-8-oxidanylidene-7-pyridin-3-yl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 7-methylsulfanyl-8-oxidanylidene-7-pyridin-3-yl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-methylsulfanyl-8-oxo-7-(3-pyridyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-(methylthio)-8-oxo-7-(3-pyridinyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-methylsulfanyl-8-oxo-7-pyridin-3-yl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 8-keto-7-(methylthio)-7-(3-pyridyl)-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:

CSC1(C2N(C1=O)C(=CCS2)C(=O)O)C3=CN=CC=C3

Isomeric SMILES

CSC1(C2N(C1=O)C(=CCS2)C(=O)O)C3=CN=CC=C3

InChI

InChI=1S/C13H12N2O3S2/c1-19-13(8-3-2-5-14-7-8)11(18)15-9(10(16)17)4-6-20-12(13)15/h2-5,7,12H,6H2,1H3,(H,16,17)