2-[butyl-(4-methylsulfanylphenyl)amino]propanoic acid

Systemtic Name: 2-[butyl-(4-methylsulfanylphenyl)amino]propanoic acid Openeye Name: 2-(N-butyl-4-methylsulfanyl-anilino)propanoic acid CAS Name: 2-[N-butyl-4-(methylthio)anilino]propanoic acid IUPAC Name: 2-(N-butyl-4-methylsulfanylanilino)propanoic acid Traditional Name: 2-[N-butyl-4-(methylthio)anilino]propionic acid Formula: C14H21NO2S MolecularWeight: 267.38704

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H21NO2S/c1-4-5-10-15(11(2)14(16)17)12-6-8-13(18-3)9-7-12/h6-9,11H,4-5,10H2,1-3H3,(H,16,17)