2-[methyl-[4-(2-methylsulfanylethyl)phenyl]amino]propanoic acid

Systemtic Name: 2-[methyl-[4-(2-methylsulfanylethyl)phenyl]amino]propanoic acid Openeye Name: 2-[N-methyl-4-(2-methylsulfanylethyl)anilino]propanoic acid CAS Name: 2-[N-methyl-4-[2-(methylthio)ethyl]anilino]propanoic acid IUPAC Name: 2-[N-methyl-4-(2-methylsulfanylethyl)anilino]propanoic acid Traditional Name: 2-[N-methyl-4-[2-(methylthio)ethyl]anilino]propionic acid Formula: C13H19NO2S MolecularWeight: 253.36046

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)N(C)C1=CC=C(C=C1)CCSC

Isomeric SMILES

CC(C(=O)O)N(C)C1=CC=C(C=C1)CCSC

InChI

InChI=1S/C13H19NO2S/c1-10(13(15)16)14(2)12-6-4-11(5-7-12)8-9-17-3/h4-7,10H,8-9H2,1-3H3,(H,15,16)