3-[(4-methylsulfanylphenyl)amino]butanoic acid

Systemtic Name: 3-[(4-methylsulfanylphenyl)amino]butanoic acid Openeye Name: 3-(4-methylsulfanylanilino)butanoic acid CAS Name: 3-[4-(methylthio)anilino]butanoic acid IUPAC Name: 3-(4-methylsulfanylanilino)butanoic acid Traditional Name: 3-[4-(methylthio)anilino]butyric acid Formula: C11H15NO2S MolecularWeight: 225.3073

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)O)NC1=CC=C(C=C1)SC

Isomeric SMILES

CC(CC(=O)O)NC1=CC=C(C=C1)SC

InChI

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