Compound Identification
SMILES
COC(=O)COC1=C(OC)C=C(C=C2SC(=O)N(CC(=O)N3CCCC3)C2=O)C(Br)=C1
InChIKey
InChIKey=JGVQQLFJSAZAOJ-UHFFFAOYSA-N
Formula
C20H21BrN2O7S
Mass
513.36
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Phenoxyacetic acid derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Phenoxyacetic acid derivatives
Alternative Parents
Alpha amino acids and derivatives Phenoxy compounds Anisoles N-acylpyrrolidines Methoxybenzenes Alkyl aryl ethers Thiazolidinediones Bromobenzenes Aryl bromides Tertiary carboxylic acid amides Dicarboximides Methyl esters Thiocarbamic acid derivatives Azacyclic compounds Monocarboxylic acids and derivatives Carbonyl compounds Organic oxides Organobromides Hydrocarbon derivatives Organonitrogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenoxyacetate - Alpha-amino acid or derivatives - Phenoxy compound - Anisole - N-acylpyrrolidine - Methoxybenzene - Phenol ether - Alkyl aryl ether - Halobenzene - Bromobenzene - Thiazolidinedione - Aryl bromide - Aryl halide - Pyrrolidine - Methyl ester - Dicarboximide - Tertiary carboxylic acid amide - Thiazolidine - Thiocarbamic acid derivative - Carboxamide group - Carboxylic acid ester - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Ether - Monocarboxylic acid or derivatives - Organic oxide - Organooxygen compound - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as phenoxyacetic acid derivatives. These are compounds containing an anisole where the methane group is linked to an acetic acid or a derivative.
External Descriptors
Not available