7-(1-methylpyrazol-4-yl)-7-methylsulfanyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 7-(1-methylpyrazol-4-yl)-7-methylsulfanyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-(1-methylpyrazol-4-yl)-7-methylsulfanyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-(1-methyl-4-pyrazolyl)-7-(methylthio)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-(1-methylpyrazol-4-yl)-7-methylsulfanyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 8-keto-7-(1-methylpyrazol-4-yl)-7-(methylthio)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C12H13N3O3S2 MolecularWeight: 311.37992

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)C2(C3N(C2=O)C(=CCS3)C(=O)O)SC

Isomeric SMILES

CN1C=C(C=N1)C2(C3N(C2=O)C(=CCS3)C(=O)O)SC

InChI

InChI=1S/C12H13N3O3S2/c1-14-6-7(5-13-14)12(19-2)10(18)15-8(9(16)17)3-4-20-11(12)15/h3,5-6,11H,4H2,1-2H3,(H,16,17)