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

Systemtic Name: 2-[(1-methylimidazol-2-yl)sulfanylmethyl]-3-phenyl-propanoic acid Openeye Name: 2-benzyl-3-(1-methylimidazol-2-yl)sulfanyl-propanoic acid CAS Name: 2-[[(1-methyl-2-imidazolyl)thio]methyl]-3-phenylpropanoic acid IUPAC Name: 2-benzyl-3-(1-methylimidazol-2-yl)sulfanylpropanoic acid Traditional Name: 2-benzyl-3-[(1-methylimidazol-2-yl)thio]propionic acid Formula: C14H16N2O2S MolecularWeight: 276.35404

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1SCC(CC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CN1C=CN=C1SCC(CC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C14H16N2O2S/c1-16-8-7-15-14(16)19-10-12(13(17)18)9-11-5-3-2-4-6-11/h2-8,12H,9-10H2,1H3,(H,17,18)