5-[(2-methylsulfanylphenyl)amino]pentanoic acid

Systemtic Name: 5-[(2-methylsulfanylphenyl)amino]pentanoic acid Openeye Name: 5-(2-methylsulfanylanilino)pentanoic acid CAS Name: 5-[2-(methylthio)anilino]pentanoic acid IUPAC Name: 5-(2-methylsulfanylanilino)pentanoic acid Traditional Name: 5-[2-(methylthio)anilino]valeric acid Formula: C12H17NO2S MolecularWeight: 239.33388

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1NCCCCC(=O)O

Isomeric SMILES

CSC1=CC=CC=C1NCCCCC(=O)O

InChI

InChI=1S/C12H17NO2S/c1-16-11-7-3-2-6-10(11)13-9-5-4-8-12(14)15/h2-3,6-7,13H,4-5,8-9H2,1H3,(H,14,15)