2-[1-[2-(4-chlorophenyl)sulfanylphenoxy]butan-2-yl-ethyl-amino]ethanoic acid

Systemtic Name: 2-[1-[2-(4-chlorophenyl)sulfanylphenoxy]butan-2-yl-ethyl-amino]ethanoic acid Openeye Name: 2-[1-[[2-(4-chlorophenyl)sulfanylphenoxy]methyl]propyl-ethyl-amino]acetic acid CAS Name: 2-[1-[2-[(4-chlorophenyl)thio]phenoxy]butan-2-yl-ethylamino]acetic acid IUPAC Name: 2-[1-[2-(4-chlorophenyl)sulfanylphenoxy]butan-2-yl-ethylamino]acetic acid Traditional Name: 2-[1-[[2-[(4-chlorophenyl)thio]phenoxy]methyl]propyl-ethyl-amino]acetic acid Formula: C20H24ClNO3S MolecularWeight: 393.92746

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24ClNO3S/c1-3-16(22(4-2)13-20(23)24)14-25-18-7-5-6-8-19(18)26-17-11-9-15(21)10-12-17/h5-12,16H,3-4,13-14H2,1-2H3,(H,23,24)