2-(ethylamino)-2-(4-methylsulfanylphenyl)propanoic acid

Systemtic Name: 2-(ethylamino)-2-(4-methylsulfanylphenyl)propanoic acid Openeye Name: 2-(ethylamino)-2-(4-methylsulfanylphenyl)propanoic acid CAS Name: 2-(ethylamino)-2-[4-(methylthio)phenyl]propanoic acid IUPAC Name: 2-(ethylamino)-2-(4-methylsulfanylphenyl)propanoic acid Traditional Name: 2-(ethylamino)-2-[4-(methylthio)phenyl]propionic acid Formula: C12H17NO2S MolecularWeight: 239.33388

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17NO2S/c1-4-13-12(2,11(14)15)9-5-7-10(16-3)8-6-9/h5-8,13H,4H2,1-3H3,(H,14,15)