Compound Identification
SMILES
CCC1=CC=C(NC2NC(=O)\C(S2)=C\C2=CC(OC)=C(OCC(O)=O)C=C2)C=C1
InChIKey
InChIKey=IXRLELRKWMFXRU-WQRHYEAKSA-N
Formula
C21H22N2O5S
Mass
414.48
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
Aniline and substituted anilines Anisoles Methoxybenzenes Phenoxy compounds Phenylalkylamines Alkyl aryl ethers Thiazolidines Lactams Secondary carboxylic acid amides Thioenol ethers Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenoxyacetate - Anisole - Phenol ether - Aniline or substituted anilines - Phenylalkylamine - Methoxybenzene - Phenoxy compound - Alkyl aryl ether - Thiazolidine - Carboxamide group - Lactam - Secondary carboxylic acid amide - Thioenolether - Azacycle - Carboxylic acid derivative - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Amine - Organic nitrogen compound - Carbonyl group - 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