Compound Identification
SMILES
CCOC(=O)C1=CC(=CC(=C1)N1C(=O)CC(SC2=CC=C(Cl)C=C2)C1=O)C(=O)OCC
InChIKey
InChIKey=HTIFTUWOOOQAJG-UHFFFAOYSA-N
Formula
C22H20ClNO6S
Mass
461.91
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
m-Phthalate esters M-phthalic acid and derivatives Phenylpyrrolidines Benzoic acid esters Thiophenol ethers Benzoyl derivatives Alkylarylthioethers Chlorobenzenes Pyrrolidine-2-ones Aryl chlorides N-substituted carboxylic acid imides Pyrroles Dicarboximides Lactams Carboxylic acid esters Sulfenyl compounds Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides Organonitrogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Acylaminobenzoic acid or derivatives - Phthalate ester - Meta-phthalic acid ester - Meta_phthalic_acid - 1-phenylpyrrolidine - Benzoate ester - Aryl thioether - Benzoyl - Thiophenol ether - Chlorobenzene - Halobenzene - Alkylarylthioether - 2-pyrrolidone - Pyrrolidone - Aryl halide - Carboxylic acid imide, n-substituted - Aryl chloride - Pyrrolidine - Pyrrole - Carboxylic acid imide - Dicarboximide - Carboxylic acid ester - Lactam - Azacycle - Thioether - Organoheterocyclic compound - Sulfenyl compound - Carboxylic acid derivative - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Organochloride - Organonitrogen compound - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organosulfur 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