Compound Identification
SMILES
CCOCCN1C(SC2=C1C=CC(=C2)C(=O)OCC)=NC(=O)C1=C(Cl)C=CC(Cl)=C1
InChIKey
InChIKey=WWFGIBRJQBLOPZ-UHFFFAOYSA-N
Formula
C21H20Cl2N2O4S
Mass
467.36
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Benzoic acids and derivatives
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzoic acids and derivatives
Intermediate Tree Nodes
Halobenzoic acids and derivatives
Direct Parent
3-halobenzoic acids and derivatives
Alternative Parents
2-halobenzoic acids and derivatives Benzothiazoles Benzoyl derivatives Dichlorobenzenes Aryl chlorides Vinylogous halides Thiazoles Heteroaromatic compounds Carboxylic acid esters Isothioureas Dialkyl ethers Azacyclic compounds Organic oxides Organochlorides Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
3-halobenzoic acid or derivatives - 2-halobenzoic acid or derivatives - 1,3-benzothiazole - Benzoyl - 1,4-dichlorobenzene - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Azole - Heteroaromatic compound - Vinylogous halide - Thiazole - Carboxylic acid ester - Isothiourea - Ether - Dialkyl ether - Organoheterocyclic compound - Carboxylic acid derivative - Azacycle - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organohalogen compound - Organochloride - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 3-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 3-position of the benzene ring.
External Descriptors
Not available