2-[[1-[2-(3-chlorophenyl)sulfanylphenoxy]-3-methyl-butan-2-yl]-methyl-amino]ethanoic acid

Systemtic Name: 2-[[1-[2-(3-chlorophenyl)sulfanylphenoxy]-3-methyl-butan-2-yl]-methyl-amino]ethanoic acid Openeye Name: 2-[[1-[[2-(3-chlorophenyl)sulfanylphenoxy]methyl]-2-methyl-propyl]-methyl-amino]acetic acid CAS Name: 2-[[1-[2-[(3-chlorophenyl)thio]phenoxy]-3-methylbutan-2-yl]-methylamino]acetic acid IUPAC Name: 2-[[1-[2-(3-chlorophenyl)sulfanylphenoxy]-3-methylbutan-2-yl]-methylamino]acetic acid Traditional Name: 2-[[1-[[2-[(3-chlorophenyl)thio]phenoxy]methyl]-2-methyl-propyl]-methyl-amino]acetic acid Formula: C20H24ClNO3S MolecularWeight: 393.92746

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24ClNO3S/c1-14(2)17(22(3)12-20(23)24)13-25-18-9-4-5-10-19(18)26-16-8-6-7-15(21)11-16/h4-11,14,17H,12-13H2,1-3H3,(H,23,24)