Compound Identification
SMILES
[Cl-].CN1C(=O)SC2=C1C=CC(=C2)C(O)C[NH2+]CCC1=CC=C(OCC(O)=O)C=C1
InChIKey
InChIKey=IBBSUJKYXZAATF-UHFFFAOYSA-N
Formula
C20H23ClN2O5S
Mass
438.92
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
Benzothiazoles Phenethylamines Phenoxy compounds Phenol ethers Alkyl aryl ethers Aralkylamines Quaternary ammonium salts Thiazoles Heteroaromatic compounds Secondary alcohols 1,2-aminoalcohols Azacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Dialkylamines Organic oxides Organic zwitterions Carbonyl compounds Organic chloride salts Aromatic alcohols Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phenoxyacetate - 1,3-benzothiazole - Phenethylamine - Phenoxy compound - Phenol ether - Alkyl aryl ether - Aralkylamine - Heteroaromatic compound - Azole - Thiazole - Quaternary ammonium salt - 1,2-aminoalcohol - Secondary alcohol - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Secondary aliphatic amine - Ether - Monocarboxylic acid or derivatives - Organic chloride salt - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Aromatic alcohol - Carbonyl group - Organic nitrogen compound - Organic zwitterion - Amine - Organic salt - Alcohol - 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