Compound Identification
SMILES
CCOC(=O)C1=C(OCC(O)CNC(C)C)C=CC(NC(=O)CC2=CC=CS2)=C1
InChIKey
InChIKey=RYCJPOBXTADOEA-UHFFFAOYSA-N
Formula
C21H28N2O5S
Mass
420.52
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzoic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Acylaminobenzoic acid and derivatives
Alternative Parents
Benzoic acid esters Anilides Benzoyl derivatives N-arylamides Phenol ethers Phenoxy compounds Alkyl aryl ethers Heteroaromatic compounds Thiophenes Carboxylic acid esters 1,2-aminoalcohols Secondary carboxylic acid amides Amino acids and derivatives Secondary alcohols Dialkylamines Hydrocarbon derivatives Carbonyl compounds Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Acylaminobenzoic acid or derivatives - Benzoate ester - Anilide - Phenoxy compound - Benzoyl - N-arylamide - Phenol ether - Alkyl aryl ether - Heteroaromatic compound - Thiophene - 1,2-aminoalcohol - Amino acid or derivatives - Secondary carboxylic acid amide - Carboxamide group - Secondary alcohol - Carboxylic acid ester - Organoheterocyclic compound - Secondary amine - Carboxylic acid derivative - Secondary aliphatic amine - Ether - Alcohol - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organooxygen compound - Amine - Organic oxide - Organonitrogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as acylaminobenzoic acid and derivatives. These are derivatives of amino benzoic acid derivatives where the amine group is N-acylated.
External Descriptors
Not available