3-[(1-methylimidazol-2-yl)methylsulfanyl]propanoic acid

Systemtic Name: 3-[(1-methylimidazol-2-yl)methylsulfanyl]propanoic acid Openeye Name: 3-[(1-methylimidazol-2-yl)methylsulfanyl]propanoic acid CAS Name: 3-[(1-methyl-2-imidazolyl)methylthio]propanoic acid IUPAC Name: 3-[(1-methylimidazol-2-yl)methylsulfanyl]propanoic acid Traditional Name: 3-[(1-methylimidazol-2-yl)methylthio]propionic acid Formula: C8H12N2O2S MolecularWeight: 200.25808

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1CSCCC(=O)O

Isomeric SMILES

CN1C=CN=C1CSCCC(=O)O

InChI

InChI=1S/C8H12N2O2S/c1-10-4-3-9-7(10)6-13-5-2-8(11)12/h3-4H,2,5-6H2,1H3,(H,11,12)