2-(2-imidazol-1-ylethylsulfanyl)ethanoate

Systemtic Name: 2-(2-imidazol-1-ylethylsulfanyl)ethanoate Openeye Name: 2-(2-imidazol-1-ylethylsulfanyl)acetate CAS Name: 2-[2-(1-imidazolyl)ethylthio]acetate IUPAC Name: 2-(2-imidazol-1-ylethylsulfanyl)acetate Traditional Name: 2-(2-imidazol-1-ylethylthio)acetate Formula: C7H9N2O2S- MolecularWeight: 185.22356

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C=N1)CCSCC(=O)[O-]

Isomeric SMILES

C1=CN(C=N1)CCSCC(=O)[O-]

InChI

InChI=1S/C7H10N2O2S/c10-7(11)5-12-4-3-9-2-1-8-6-9/h1-2,6H,3-5H2,(H,10,11)/p-1