2-(2-imidazol-1-ylethylsulfanyl)ethanoic acid

Systemtic Name: 2-(2-imidazol-1-ylethylsulfanyl)ethanoic acid Openeye Name: 2-(2-imidazol-1-ylethylsulfanyl)acetic acid CAS Name: 2-[2-(1-imidazolyl)ethylthio]acetic acid IUPAC Name: 2-(2-imidazol-1-ylethylsulfanyl)acetic acid Traditional Name: 2-(2-imidazol-1-ylethylthio)acetic acid Formula: C7H10N2O2S MolecularWeight: 186.2315

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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)