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

Systemtic Name: 2-[2-[2-(3-chloranyl-4-fluoranyl-phenyl)sulfanylphenoxy]ethyl-ethyl-amino]ethanoic acid Openeye Name: 2-[2-[2-(3-chloro-4-fluoro-phenyl)sulfanylphenoxy]ethyl-ethyl-amino]acetic acid CAS Name: 2-[2-[2-[(3-chloro-4-fluorophenyl)thio]phenoxy]ethyl-ethylamino]acetic acid IUPAC Name: 2-[2-[2-(3-chloro-4-fluorophenyl)sulfanylphenoxy]ethyl-ethylamino]acetic acid Traditional Name: 2-[2-[2-[(3-chloro-4-fluoro-phenyl)thio]phenoxy]ethyl-ethyl-amino]acetic acid Formula: C18H19ClFNO3S MolecularWeight: 383.864763

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCOC1=CC=CC=C1SC2=CC(=C(C=C2)F)Cl)CC(=O)O

Isomeric SMILES

CCN(CCOC1=CC=CC=C1SC2=CC(=C(C=C2)F)Cl)CC(=O)O

InChI

InChI=1S/C18H19ClFNO3S/c1-2-21(12-18(22)23)9-10-24-16-5-3-4-6-17(16)25-13-7-8-15(20)14(19)11-13/h3-8,11H,2,9-10,12H2,1H3,(H,22,23)