2-[(4-methylphenyl)methylamino]-4-sulfanyl-butanoic acid

Systemtic Name: 2-[(4-methylphenyl)methylamino]-4-sulfanyl-butanoic acid Openeye Name: 2-(p-tolylmethylamino)-4-sulfanyl-butanoic acid CAS Name: 4-mercapto-2-[(4-methylphenyl)methylamino]butanoic acid IUPAC Name: 2-[(4-methylphenyl)methylamino]-4-sulfanylbutanoic acid Traditional Name: 4-mercapto-2-[(4-methylbenzyl)amino]butyric acid Formula: C12H17NO2S MolecularWeight: 239.33388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(CCS)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)CNC(CCS)C(=O)O

InChI

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