2-[(4-methylsulfanylphenyl)methylamino]propanoic acid

Systemtic Name: 2-[(4-methylsulfanylphenyl)methylamino]propanoic acid Openeye Name: 2-[(4-methylsulfanylphenyl)methylamino]propanoic acid CAS Name: 2-[[4-(methylthio)phenyl]methylamino]propanoic acid IUPAC Name: 2-[(4-methylsulfanylphenyl)methylamino]propanoic acid Traditional Name: 2-[[4-(methylthio)benzyl]amino]propionic acid Formula: C11H15NO2S MolecularWeight: 225.3073

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)NCC1=CC=C(C=C1)SC

Isomeric SMILES

CC(C(=O)O)NCC1=CC=C(C=C1)SC

InChI

InChI=1S/C11H15NO2S/c1-8(11(13)14)12-7-9-3-5-10(15-2)6-4-9/h3-6,8,12H,7H2,1-2H3,(H,13,14)