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

Systemtic Name: 2-ethyl-2-[(2-phenylazanylphenyl)sulfanylmethyl]hexanoic acid Openeye Name: 2-[(2-anilinophenyl)sulfanylmethyl]-2-ethyl-hexanoic acid CAS Name: 2-[[(2-anilinophenyl)thio]methyl]-2-ethylhexanoic acid IUPAC Name: 2-[(2-anilinophenyl)sulfanylmethyl]-2-ethylhexanoic acid Traditional Name: 2-[[(2-anilinophenyl)thio]methyl]-2-ethyl-hexanoic acid Formula: C21H27NO2S MolecularWeight: 357.50958

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)(CSC1=CC=CC=C1NC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CCCCC(CC)(CSC1=CC=CC=C1NC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C21H27NO2S/c1-3-5-15-21(4-2,20(23)24)16-25-19-14-10-9-13-18(19)22-17-11-7-6-8-12-17/h6-14,22H,3-5,15-16H2,1-2H3,(H,23,24)