CHEBI:83647 - (S)-metolachlor

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (S)-metolachlor
ChEBI ID CHEBI:83647
ChEBI ASCII Name (S)-metolachlor
Definition The (S)-enantiomer of 2-chloro-N-(2-ethyl-6-methylphenyl)-N-(1-methoxypropan-2-yl)acetamide.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C15H22ClNO2
Net Charge 0
Average Mass 283.79400
Monoisotopic Mass 283.13391
InChI InChI=1S/C15H22ClNO2/c1-5-13-8-6-7-11(2)15(13)17(14(18)9-16)12(3)10-19-4/h6-8,12H,5,9-10H2,1-4H3/t12-/m0/s1
InChIKey WVQBLGZPHOPPFO-LBPRGKRZSA-N
SMILES CCc1cccc(C)c1N([C@@H](C)COC)C(=O)CCl
ChEBI Ontology
Outgoing (S)-metolachlor (CHEBI:83647) is a 2-chloro-N-(2-ethyl-6-methylphenyl)-N-(1-methoxypropan-2-yl)acetamide (CHEBI:83645)
(S)-metolachlor (CHEBI:83647) is enantiomer of (R)-metolachlor (CHEBI:83646)
Incoming metolachlor (CHEBI:6902) has part (S)-metolachlor (CHEBI:83647)
(R)-metolachlor (CHEBI:83646) is enantiomer of (S)-metolachlor (CHEBI:83647)
IUPAC Name
2-chloro-N-(2-ethyl-6-methylphenyl)-N-[(2S)-1-methoxypropan-2-yl]acetamide
Manual Xrefs Databases
1027 PPDB
s-metolachlor Alan Wood's Pesticides
View more database links
Registry Numbers Types Sources
6483536 Reaxys Registry Number Reaxys
87392-12-9 CAS Registry Number ChemIDplus
Last Modified
07 November 2014