5-[(3-methylsulfanylphenyl)amino]pentanoic acid

Systemtic Name: 5-[(3-methylsulfanylphenyl)amino]pentanoic acid Openeye Name: 5-(3-methylsulfanylanilino)pentanoic acid CAS Name: 5-[3-(methylthio)anilino]pentanoic acid IUPAC Name: 5-(3-methylsulfanylanilino)pentanoic acid Traditional Name: 5-[3-(methylthio)anilino]valeric acid Formula: C12H17NO2S MolecularWeight: 239.33388

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NCCCCC(=O)O

Isomeric SMILES

CSC1=CC=CC(=C1)NCCCCC(=O)O

InChI

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