2-[1-[2-(3-chloranyl-4-fluoranyl-phenyl)sulfanylphenoxy]pentan-2-yl-ethyl-amino]ethanoic acid

Systemtic Name: 2-[1-[2-(3-chloranyl-4-fluoranyl-phenyl)sulfanylphenoxy]pentan-2-yl-ethyl-amino]ethanoic acid Openeye Name: 2-[1-[[2-(3-chloro-4-fluoro-phenyl)sulfanylphenoxy]methyl]butyl-ethyl-amino]acetic acid CAS Name: 2-[1-[2-[(3-chloro-4-fluorophenyl)thio]phenoxy]pentan-2-yl-ethylamino]acetic acid IUPAC Name: 2-[1-[2-(3-chloro-4-fluorophenyl)sulfanylphenoxy]pentan-2-yl-ethylamino]acetic acid Traditional Name: 2-[1-[[2-[(3-chloro-4-fluoro-phenyl)thio]phenoxy]methyl]butyl-ethyl-amino]acetic acid Formula: C21H25ClFNO3S MolecularWeight: 425.944503

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(COC1=CC=CC=C1SC2=CC(=C(C=C2)F)Cl)N(CC)CC(=O)O

Isomeric SMILES

CCCC(COC1=CC=CC=C1SC2=CC(=C(C=C2)F)Cl)N(CC)CC(=O)O

InChI

InChI=1S/C21H25ClFNO3S/c1-3-7-15(24(4-2)13-21(25)26)14-27-19-8-5-6-9-20(19)28-16-10-11-18(23)17(22)12-16/h5-6,8-12,15H,3-4,7,13-14H2,1-2H3,(H,25,26)