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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)SCCN1C=CN=C1

Isomeric SMILES

CC(C(=O)O)SCCN1C=CN=C1

InChI

InChI=1S/C8H12N2O2S/c1-7(8(11)12)13-5-4-10-3-2-9-6-10/h2-3,6-7H,4-5H2,1H3,(H,11,12)