2-(4-methylsulfanylphenyl)-2-(propylamino)ethanoic acid

Systemtic Name: 2-(4-methylsulfanylphenyl)-2-(propylamino)ethanoic acid Openeye Name: 2-(4-methylsulfanylphenyl)-2-(propylamino)acetic acid CAS Name: 2-[4-(methylthio)phenyl]-2-(propylamino)acetic acid IUPAC Name: 2-(4-methylsulfanylphenyl)-2-(propylamino)acetic acid Traditional Name: 2-[4-(methylthio)phenyl]-2-(propylamino)acetic acid Formula: C12H17NO2S MolecularWeight: 239.33388

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17NO2S/c1-3-8-13-11(12(14)15)9-4-6-10(16-2)7-5-9/h4-7,11,13H,3,8H2,1-2H3,(H,14,15)