2-[4-(2-azanylethyl)phenyl]sulfanyl-2-methyl-propanoic acid

Systemtic Name: 2-[4-(2-azanylethyl)phenyl]sulfanyl-2-methyl-propanoic acid Openeye Name: 2-[4-(2-aminoethyl)phenyl]sulfanyl-2-methyl-propanoic acid CAS Name: 2-[[4-(2-aminoethyl)phenyl]thio]-2-methylpropanoic acid IUPAC Name: 2-[4-(2-aminoethyl)phenyl]sulfanyl-2-methylpropanoic acid Traditional Name: 2-[[4-(2-aminoethyl)phenyl]thio]-2-methyl-propionic acid Formula: C12H17NO2S MolecularWeight: 239.33388

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)O)SC1=CC=C(C=C1)CCN

Isomeric SMILES

CC(C)(C(=O)O)SC1=CC=C(C=C1)CCN

InChI

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