Compound Identification
SMILES
CC[C@@H](OC1=CC=CC(CN2C(C)=C(SC3=CC=CC=C3)C3=CC=CC=C23)=C1)C(O)=O
InChIKey
InChIKey=JAQNMRVDOVQJOB-XMMPIXPASA-N
Formula
C26H25NO3S
Mass
431.55
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
Diarylthioethers N-alkylindoles Indoles Thiophenol ethers Phenol ethers Phenoxy compounds Alkyl aryl ethers Substituted pyrroles Heteroaromatic compounds Monocarboxylic acids and derivatives Sulfenyl compounds Carboxylic acids Azacyclic compounds Organic oxides Hydrocarbon derivatives Organonitrogen compounds Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phenoxyacetate - Diarylthioether - N-alkylindole - Indole - Indole or derivatives - Phenoxy compound - Aryl thioether - Phenol ether - Thiophenol ether - Alkyl aryl ether - Substituted pyrrole - Heteroaromatic compound - Pyrrole - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Sulfenyl compound - Azacycle - Thioether - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Organic oxide - 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