3-(2-imidazol-1-ylethylsulfanyl)propanoic acid

Systemtic Name: 3-(2-imidazol-1-ylethylsulfanyl)propanoic acid Openeye Name: 3-(2-imidazol-1-ylethylsulfanyl)propanoic acid CAS Name: 3-[2-(1-imidazolyl)ethylthio]propanoic acid IUPAC Name: 3-(2-imidazol-1-ylethylsulfanyl)propanoic acid Traditional Name: 3-(2-imidazol-1-ylethylthio)propionic acid Formula: C8H12N2O2S MolecularWeight: 200.25808

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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)