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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)CSOC(=O)C2=CCSC3N2C(=O)C3

Isomeric SMILES

CN1C=C(C=N1)CSOC(=O)C2=CCSC3N2C(=O)C3

InChI

InChI=1S/C12H13N3O3S2/c1-14-6-8(5-13-14)7-20-18-12(17)9-2-3-19-11-4-10(16)15(9)11/h2,5-6,11H,3-4,7H2,1H3