Compound Identification
SMILES
COC(=O)COC1=C(Br)C=C(C=C2SC3=NC4=CC=CC=C4N3C2=O)C=C1
InChIKey
InChIKey=JAMYEDPAWUJDRJ-UHFFFAOYSA-N
Formula
C19H13BrN2O4S
Mass
445.29
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
Benzimidazoles Phenoxy compounds Phenol ethers Alkyl aryl ethers Bromobenzenes Aryl bromides N-substituted imidazoles Thiazoles Heteroaromatic compounds Methyl esters Lactams Azacyclic compounds Monocarboxylic acids and derivatives Hydrocarbon derivatives Organonitrogen compounds Carbonyl compounds Organic oxides Organobromides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phenoxyacetate - Benzimidazole - Phenoxy compound - Phenol ether - Alkyl aryl ether - Halobenzene - Bromobenzene - Aryl bromide - Aryl halide - N-substituted imidazole - Azole - Imidazole - Thiazole - Methyl ester - Heteroaromatic compound - Lactam - Carboxylic acid ester - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Ether - Monocarboxylic acid or derivatives - Organooxygen compound - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Organic oxide - Organonitrogen compound - Organobromide - Organohalogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic 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