Compound Identification
SMILES
CN1C(=O)SC2=C1C=CC(=C2)C(O)CNCCC1=CC=C(OCC(O)=O)C=C1
InChIKey
InChIKey=VGPCIFFLSCJQFJ-UHFFFAOYSA-N
Formula
C20H22N2O5S
Mass
402.47
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
Phenethylamines Benzothiazoles Phenoxy compounds Phenol ethers Alkyl aryl ethers Aralkylamines Thiazoles Heteroaromatic compounds Secondary alcohols 1,2-aminoalcohols Amino acids Monocarboxylic acids and derivatives Dialkylamines Carboxylic acids Azacyclic compounds Aromatic alcohols Carbonyl compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phenoxyacetate - 1,3-benzothiazole - Phenethylamine - Phenoxy compound - Phenol ether - Alkyl aryl ether - Aralkylamine - Heteroaromatic compound - Azole - Thiazole - 1,2-aminoalcohol - Amino acid or derivatives - Amino acid - Secondary alcohol - Organoheterocyclic compound - Secondary amine - Azacycle - Carboxylic acid derivative - Carboxylic acid - Secondary aliphatic amine - Ether - Monocarboxylic acid or derivatives - Aromatic alcohol - Amine - Carbonyl group - Alcohol - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organic oxide - 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