Compound Identification
SMILES
COC(=O)C1=CC(NC(=O)CSC2=CC=CC3=C2N=CC=C3)=C(C=C1)C(=O)OC
InChIKey
InChIKey=QKJOYLLZTNXVPB-UHFFFAOYSA-N
Formula
C21H18N2O5S
Mass
410.44
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
p-Phthalate esters P-phthalic acid and derivatives Benzoic acid esters Quinolines and derivatives Anilides Thiophenol ethers Benzoyl derivatives N-arylamides Alkylarylthioethers Pyridines and derivatives Methyl esters Heteroaromatic compounds Vinylogous amides Secondary carboxylic acid amides Azacyclic compounds Sulfenyl compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Acylaminobenzoic acid or derivatives - Phthalate ester - Para-phthalic acid ester - Para_phthalic_acid - Benzoate ester - Quinoline - Anilide - Aryl thioether - Benzoyl - Thiophenol ether - N-arylamide - Alkylarylthioether - Pyridine - Heteroaromatic compound - Methyl ester - Vinylogous amide - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Sulfenyl compound - Thioether - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organosulfur compound - Organic nitrogen compound - Organic oxygen compound - Carbonyl group - Organic oxide - Aromatic heteropolycyclic 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