2-[(4-aminophenyl)sulfanylmethyl]-3-methyl-butanoic acid

Systemtic Name: 2-[(4-aminophenyl)sulfanylmethyl]-3-methyl-butanoic acid Openeye Name: 2-[(4-aminophenyl)sulfanylmethyl]-3-methyl-butanoic acid CAS Name: 2-[[(4-aminophenyl)thio]methyl]-3-methylbutanoic acid IUPAC Name: 2-[(4-aminophenyl)sulfanylmethyl]-3-methylbutanoic acid Traditional Name: 2-[[(4-aminophenyl)thio]methyl]-3-methyl-butyric acid Formula: C12H17NO2S MolecularWeight: 239.33388

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CSC1=CC=C(C=C1)N)C(=O)O

Isomeric SMILES

CC(C)C(CSC1=CC=C(C=C1)N)C(=O)O

InChI

InChI=1S/C12H17NO2S/c1-8(2)11(12(14)15)7-16-10-5-3-9(13)4-6-10/h3-6,8,11H,7,13H2,1-2H3,(H,14,15)