2-[(2-methylsulfanylphenyl)amino]pentanoic acid

Systemtic Name: 2-[(2-methylsulfanylphenyl)amino]pentanoic acid Openeye Name: 2-(2-methylsulfanylanilino)pentanoic acid CAS Name: 2-[2-(methylthio)anilino]pentanoic acid IUPAC Name: 2-(2-methylsulfanylanilino)pentanoic acid Traditional Name: 2-[2-(methylthio)anilino]valeric acid Formula: C12H17NO2S MolecularWeight: 239.33388

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)O)NC1=CC=CC=C1SC

Isomeric SMILES

CCCC(C(=O)O)NC1=CC=CC=C1SC

InChI

InChI=1S/C12H17NO2S/c1-3-6-10(12(14)15)13-9-7-4-5-8-11(9)16-2/h4-5,7-8,10,13H,3,6H2,1-2H3,(H,14,15)