Products 159956-64-6

CAS 159956-64-6 is the registry number for Metolachlor mercapturate. Offered by: Biosynth. Available pack sizes: 250mg, 100mg.

Metolachlor mercapturate
Biosynth
  • size: 250mg, 100mg
  • Variants: 2
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Structural formula: {0} (CAS {1})

(2R)-2-acetamido-3-[2-[2-ethyl-N-(1-methoxypropan-2-yl)-6-methylanilino]-2-oxoethyl]sulfanylpropanoic acid (CAS 159956-64-6) is a chemical compound with the molecular formula C20H30N2O5S and a molecular weight of 410.5 g/mol. IUPAC name: (2R)-2-acetamido-3-[2-[2-ethyl-N-(1-methoxypropan-2-yl)-6-methylanilino]-2-oxoethyl]sulfanylpropanoic acid. InChIKey: HEFXMEPCHCUHDE-JRZJBTRGSA-N.

Identity
Molecular formulaC20H30N2O5S
Molecular weight410.5 g/mol
IUPAC name(2R)-2-acetamido-3-[2-[2-ethyl-N-(1-methoxypropan-2-yl)-6-methylanilino]-2-oxoethyl]sulfanylpropanoic acid
InChIKeyHEFXMEPCHCUHDE-JRZJBTRGSA-N
SMILESCCC1=CC=CC(=C1N(C(C)COC)C(=O)CSC[C@@H](C(=O)O)NC(=O)C)C

Computed by PubChem (NCBI)

Synonyms: Metolachlor mercapturate
Isomers (same molecular formula)
ethyl 3-[[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxycarbonyl-methylamino]sulfanyl-propan-2-ylamino]propanoate C20H30N2O5S