2-[1-[2-(3,4-dichlorophenyl)sulfanylphenoxy]butan-2-yl-ethyl-amino]ethanoic acid

Systemtic Name: 2-[1-[2-(3,4-dichlorophenyl)sulfanylphenoxy]butan-2-yl-ethyl-amino]ethanoic acid Openeye Name: 2-[1-[[2-(3,4-dichlorophenyl)sulfanylphenoxy]methyl]propyl-ethyl-amino]acetic acid CAS Name: 2-[1-[2-[(3,4-dichlorophenyl)thio]phenoxy]butan-2-yl-ethylamino]acetic acid IUPAC Name: 2-[1-[2-(3,4-dichlorophenyl)sulfanylphenoxy]butan-2-yl-ethylamino]acetic acid Traditional Name: 2-[1-[[2-[(3,4-dichlorophenyl)thio]phenoxy]methyl]propyl-ethyl-amino]acetic acid Formula: C20H23Cl2NO3S MolecularWeight: 428.37252

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Descriptors Computed from Structure

Canonical SMILES:

CCC(COC1=CC=CC=C1SC2=CC(=C(C=C2)Cl)Cl)N(CC)CC(=O)O

Isomeric SMILES

CCC(COC1=CC=CC=C1SC2=CC(=C(C=C2)Cl)Cl)N(CC)CC(=O)O

InChI

InChI=1S/C20H23Cl2NO3S/c1-3-14(23(4-2)12-20(24)25)13-26-18-7-5-6-8-19(18)27-15-9-10-16(21)17(22)11-15/h5-11,14H,3-4,12-13H2,1-2H3,(H,24,25)