Compound Identification
SMILES
[O-]C(=O)C(OC1=C(C=CC(OCC2=CSC=C2)=C1)C#N)C1=CC=CC=C1Cl
InChIKey
InChIKey=VIWKJQUUNJGRMU-UHFFFAOYSA-M
Formula
C20H13ClNO4S
Mass
398.84
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
Phenoxy compounds Phenol ethers Benzonitriles Alkyl aryl ethers Chlorobenzenes Aryl chlorides Thiophenes Heteroaromatic compounds Carboxylic acid salts Nitriles Monocarboxylic acids and derivatives Carboxylic acids Organochlorides Hydrocarbon derivatives Carbonyl compounds Organic oxides Organic anions
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenoxyacetate - Phenoxy compound - Benzonitrile - Phenol ether - Alkyl aryl ether - Halobenzene - Chlorobenzene - Aryl chloride - Aryl halide - Heteroaromatic compound - Thiophene - Carboxylic acid salt - Carboxylic acid - Organoheterocyclic compound - Ether - Carboxylic acid derivative - Nitrile - Carbonitrile - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organic oxygen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Cyanide - Organic anion - 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