Compound Identification
SMILES
COC(=O)COC1=C(OC)C=C(C=C2SC(=O)N(CC(=O)N3CCCCCC3)C2=O)C=C1Br
InChIKey
InChIKey=FBOZVTKHSWBHOB-UHFFFAOYSA-N
Formula
C22H25BrN2O7S
Mass
541.41
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 Anisoles Methoxybenzenes Phenoxy compounds Alkyl aryl ethers Thiazolidinediones Azepanes Bromobenzenes Aryl bromides Methyl esters Tertiary carboxylic acid amides Dicarboximides Thiocarbamic acid derivatives Azacyclic compounds Monocarboxylic acids and derivatives Hydrocarbon derivatives Carbonyl compounds Organic oxides Organobromides Organonitrogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenoxyacetate - Alpha-amino acid or derivatives - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Alkyl aryl ether - Halobenzene - Bromobenzene - Azepane - Thiazolidinedione - Aryl bromide - Aryl halide - Dicarboximide - Methyl ester - Thiazolidine - Tertiary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Thiocarbamic acid derivative - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Azacycle - Carboxylic acid derivative - Ether - Organic nitrogen compound - Organohalogen compound - Carbonyl group - Organobromide - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - 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