2-[(2-aminophenyl)sulfanylmethyl]-2-ethyl-hexanoic acid

Systemtic Name: 2-[(2-aminophenyl)sulfanylmethyl]-2-ethyl-hexanoic acid Openeye Name: 2-[(2-aminophenyl)sulfanylmethyl]-2-ethyl-hexanoic acid CAS Name: 2-[[(2-aminophenyl)thio]methyl]-2-ethylhexanoic acid IUPAC Name: 2-[(2-aminophenyl)sulfanylmethyl]-2-ethylhexanoic acid Traditional Name: 2-[[(2-aminophenyl)thio]methyl]-2-ethyl-hexanoic acid Formula: C15H23NO2S MolecularWeight: 281.41362

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)(CSC1=CC=CC=C1N)C(=O)O

Isomeric SMILES

CCCCC(CC)(CSC1=CC=CC=C1N)C(=O)O

InChI

InChI=1S/C15H23NO2S/c1-3-5-10-15(4-2,14(17)18)11-19-13-9-7-6-8-12(13)16/h6-9H,3-5,10-11,16H2,1-2H3,(H,17,18)