2-[2-[2,5-bis(chloranyl)phenyl]sulfanylethylamino]-2-methyl-pentanoic acid

Systemtic Name: 2-[2-[2,5-bis(chloranyl)phenyl]sulfanylethylamino]-2-methyl-pentanoic acid Openeye Name: 2-[2-(2,5-dichlorophenyl)sulfanylethylamino]-2-methyl-pentanoic acid CAS Name: 2-[2-[(2,5-dichlorophenyl)thio]ethylamino]-2-methylpentanoic acid IUPAC Name: 2-[2-(2,5-dichlorophenyl)sulfanylethylamino]-2-methylpentanoic acid Traditional Name: 2-[2-[(2,5-dichlorophenyl)thio]ethylamino]-2-methyl-valeric acid Formula: C14H19Cl2NO2S MolecularWeight: 336.27716

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)(C(=O)O)NCCSC1=C(C=CC(=C1)Cl)Cl

Isomeric SMILES

CCCC(C)(C(=O)O)NCCSC1=C(C=CC(=C1)Cl)Cl

InChI

InChI=1S/C14H19Cl2NO2S/c1-3-6-14(2,13(18)19)17-7-8-20-12-9-10(15)4-5-11(12)16/h4-5,9,17H,3,6-8H2,1-2H3,(H,18,19)