2-(4-methylsulfanylphenyl)-2-(propan-2-ylamino)propanoic acid

Systemtic Name: 2-(4-methylsulfanylphenyl)-2-(propan-2-ylamino)propanoic acid Openeye Name: 2-(isopropylamino)-2-(4-methylsulfanylphenyl)propanoic acid CAS Name: 2-[4-(methylthio)phenyl]-2-(propan-2-ylamino)propanoic acid IUPAC Name: 2-(4-methylsulfanylphenyl)-2-(propan-2-ylamino)propanoic acid Traditional Name: 2-(isopropylamino)-2-[4-(methylthio)phenyl]propionic acid Formula: C13H19NO2S MolecularWeight: 253.36046

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19NO2S/c1-9(2)14-13(3,12(15)16)10-5-7-11(17-4)8-6-10/h5-9,14H,1-4H3,(H,15,16)