Compound Identification
SMILES
COC(=O)C1=CC(=CC(NC(=O)CSC2=NN=C(O2)C2=CC(Cl)=CC=C2)=C1)C(=O)OC
InChIKey
InChIKey=PORVJFHGKUVCOB-UHFFFAOYSA-N
Formula
C20H16ClN3O6S
Mass
461.87
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 Benzoic acid esters Anilides Benzoyl derivatives N-arylamides Chlorobenzenes Alkylarylthioethers Dicarboxylic acids and derivatives Aryl chlorides 1,3,4-oxadiazoles Heteroaromatic compounds Methyl esters Secondary carboxylic acid amides Oxacyclic compounds Sulfenyl compounds Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides Organopnictogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Acylaminobenzoic acid or derivatives - Phthalate ester - Meta-phthalic acid ester - Meta_phthalic_acid - Benzoate ester - Anilide - Aryl thioether - Benzoyl - N-arylamide - Chlorobenzene - Halobenzene - Alkylarylthioether - Aryl chloride - Aryl halide - Dicarboxylic acid or derivatives - 1,3,4-oxadiazole - Azole - Heteroaromatic compound - Oxadiazole - Methyl ester - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Organoheterocyclic compound - Sulfenyl compound - Thioether - Carboxylic acid derivative - Azacycle - Oxacycle - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Organohalogen compound - Organochloride - Carbonyl group - Organic oxide - Organopnictogen compound - Organonitrogen 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