3-(2-imidazol-1-ylethylsulfanyl)propanoate

Systemtic Name: 3-(2-imidazol-1-ylethylsulfanyl)propanoate Openeye Name: 3-(2-imidazol-1-ylethylsulfanyl)propanoate CAS Name: 3-[2-(1-imidazolyl)ethylthio]propanoate IUPAC Name: 3-(2-imidazol-1-ylethylsulfanyl)propanoate Traditional Name: 3-(2-imidazol-1-ylethylthio)propionate Formula: C8H11N2O2S- MolecularWeight: 199.25014

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H12N2O2S/c11-8(12)1-5-13-6-4-10-3-2-9-7-10/h2-3,7H,1,4-6H2,(H,11,12)/p-1