Compound Identification
SMILES
CCOC1=C(OCC(O)=O)C(Br)=CC(C=C2SC(=O)N(CC(=O)N3CCCCCC3)C2=O)=C1
InChIKey
InChIKey=UIMMZIUMHCZUCE-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 Phenoxy compounds Phenol ethers Thiazolidinediones Alkyl aryl ethers Azepanes Bromobenzenes Aryl bromides Tertiary carboxylic acid amides Dicarboximides Thiocarbamic acid derivatives Monocarboxylic acids and derivatives Azacyclic compounds Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Organic oxides Organobromides Organonitrogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenoxyacetate - Alpha-amino acid or derivatives - Phenoxy compound - Phenol ether - Alkyl aryl ether - Azepane - Bromobenzene - Thiazolidinedione - Halobenzene - Aryl bromide - Aryl halide - Dicarboximide - Thiazolidine - Tertiary carboxylic acid amide - Carboxamide group - Thiocarbamic acid derivative - Monocarboxylic acid or derivatives - Ether - Carboxylic acid - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - Organohalogen compound - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organobromide - Organonitrogen 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