1H-pyrazol-4-ylmethylsulfanyl 8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate dihydrochloride

Systemtic Name: 1H-pyrazol-4-ylmethylsulfanyl 8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate dihydrochloride Openeye Name: 1H-pyrazol-4-ylmethylsulfanyl 8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate dihydrochloride CAS Name: 8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (1H-pyrazol-4-ylmethylthio) ester dihydrochloride IUPAC Name: 1H-pyrazol-4-ylmethylsulfanyl 8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate dihydrochloride Traditional Name: 8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (1H-pyrazol-4-ylmethylthio) ester dihydrochloride Formula: C11H13Cl2N3O3S2 MolecularWeight: 370.27522

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Descriptors Computed from Structure

Canonical SMILES:

C1C=C(N2C(S1)CC2=O)C(=O)OSCC3=CNN=C3.Cl.Cl

Isomeric SMILES

C1C=C(N2C(S1)CC2=O)C(=O)OSCC3=CNN=C3.Cl.Cl

InChI

InChI=1S/C11H11N3O3S2.2ClH/c15-9-3-10-14(9)8(1-2-18-10)11(16)17-19-6-7-4-12-13-5-7;;/h1,4-5,10H,2-3,6H2,(H,12,13);2*1H