Compound Identification
SMILES
COC1=C(O[C@H](C)C(O)=O)C=CC(\C=C2\SC(NC3=C(C)C=CC(Cl)=C3)=NC2=O)=C1
InChIKey
InChIKey=HTROECLAAXEVIF-KBSHCFNASA-N
Formula
C21H19ClN2O5S
Mass
446.9
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass 2-phenoxypropionic acids
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Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
2-phenoxypropionic acids
Intermediate Tree Nodes
Not available
Direct Parent
2-phenoxypropionic acids
Alternative Parents
Phenoxyacetic acid derivatives Phenoxy compounds Aniline and substituted anilines Anisoles Methoxybenzenes Toluenes Alkyl aryl ethers Chlorobenzenes Aryl chlorides Thiazolines N-acylimines Isothioureas Propargyl-type 1,3-dipolar organic compounds Monocarboxylic acids and derivatives Azacyclic compounds Carboxylic acids Amines Organochlorides Carbonyl compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2-phenoxypropionic acid - Phenoxyacetate - Phenoxy compound - Anisole - Methoxybenzene - Aniline or substituted anilines - Phenol ether - Alkyl aryl ether - Chlorobenzene - Halobenzene - Toluene - Aryl chloride - Aryl halide - Meta-thiazoline - Isothiourea - N-acylimine - Carboxylic acid derivative - Carboxylic acid - Azacycle - Ether - Organoheterocyclic compound - Organic 1,3-dipolar compound - Monocarboxylic acid or derivatives - Propargyl-type 1,3-dipolar organic compound - Organic oxygen compound - Amine - Organic oxide - Hydrocarbon derivative - Carbonyl group - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as 2-phenoxypropionic acids. These are aromatic compounds hat contain a phenol ether attached to the C2-atom of a phenylpropionic acid.
External Descriptors
Not available