3-[2-(4-methylphenyl)sulfanylethylamino]propanoic acid

Systemtic Name: 3-[2-(4-methylphenyl)sulfanylethylamino]propanoic acid Openeye Name: 3-[2-(p-tolylsulfanyl)ethylamino]propanoic acid CAS Name: 3-[2-[(4-methylphenyl)thio]ethylamino]propanoic acid IUPAC Name: 3-[2-(4-methylphenyl)sulfanylethylamino]propanoic acid Traditional Name: 3-[2-(p-tolylthio)ethylamino]propionic acid Formula: C12H17NO2S MolecularWeight: 239.33388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCNCCC(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)SCCNCCC(=O)O

InChI

InChI=1S/C12H17NO2S/c1-10-2-4-11(5-3-10)16-9-8-13-7-6-12(14)15/h2-5,13H,6-9H2,1H3,(H,14,15)