3-[1-(4-methylsulfanylphenyl)ethylamino]propanoic acid

Systemtic Name: 3-[1-(4-methylsulfanylphenyl)ethylamino]propanoic acid Openeye Name: 3-[1-(4-methylsulfanylphenyl)ethylamino]propanoic acid CAS Name: 3-[1-[4-(methylthio)phenyl]ethylamino]propanoic acid IUPAC Name: 3-[1-(4-methylsulfanylphenyl)ethylamino]propanoic acid Traditional Name: 3-[1-[4-(methylthio)phenyl]ethylamino]propionic acid Formula: C12H17NO2S MolecularWeight: 239.33388

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)SC)NCCC(=O)O

Isomeric SMILES

CC(C1=CC=C(C=C1)SC)NCCC(=O)O

InChI

InChI=1S/C12H17NO2S/c1-9(13-8-7-12(14)15)10-3-5-11(16-2)6-4-10/h3-6,9,13H,7-8H2,1-2H3,(H,14,15)