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

Systemtic Name: 2-[1-[2-(3-chloranyl-4-fluoranyl-phenyl)sulfanylphenoxy]propan-2-yl-ethyl-amino]ethanoic acid Openeye Name: 2-[[2-[2-(3-chloro-4-fluoro-phenyl)sulfanylphenoxy]-1-methyl-ethyl]-ethyl-amino]acetic acid CAS Name: 2-[1-[2-[(3-chloro-4-fluorophenyl)thio]phenoxy]propan-2-yl-ethylamino]acetic acid IUPAC Name: 2-[1-[2-(3-chloro-4-fluorophenyl)sulfanylphenoxy]propan-2-yl-ethylamino]acetic acid Traditional Name: 2-[[2-[2-[(3-chloro-4-fluoro-phenyl)thio]phenoxy]-1-methyl-ethyl]-ethyl-amino]acetic acid Formula: C19H21ClFNO3S MolecularWeight: 397.891343

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC(=O)O)C(C)COC1=CC=CC=C1SC2=CC(=C(C=C2)F)Cl

Isomeric SMILES

CCN(CC(=O)O)C(C)COC1=CC=CC=C1SC2=CC(=C(C=C2)F)Cl

InChI

InChI=1S/C19H21ClFNO3S/c1-3-22(11-19(23)24)13(2)12-25-17-6-4-5-7-18(17)26-14-8-9-16(21)15(20)10-14/h4-10,13H,3,11-12H2,1-2H3,(H,23,24)