Compound Identification
SMILES
CC(C)N(C(=O)C1=C(C)C=C(Cl)C=C1)C1=C(SC(=C1)C1=CC=CC=C1)C(O)=O
InChIKey
InChIKey=YDZCKMDOWRWMGU-UHFFFAOYSA-N
Formula
C22H20ClNO3S
Mass
413.92
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
4-halobenzoic acids and derivatives
Alternative Parents
o-Toluamides Benzamides Thiophene carboxylic acids 2,3,5-trisubstituted thiophenes Benzoyl derivatives Chlorobenzenes Aryl chlorides Vinylogous amides Tertiary carboxylic acid amides Heteroaromatic compounds Carboxylic acids Organooxygen compounds Organic oxides Organochlorides Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
4-halobenzoic acid or derivatives - Toluamide - Benzamide - O-toluamide - Thiophene carboxylic acid - Thiophene carboxylic acid or derivatives - 2,3,5-trisubstituted thiophene - Benzoyl - Toluene - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Vinylogous amide - Tertiary carboxylic acid amide - Thiophene - Heteroaromatic compound - Carboxamide group - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organohalogen compound - Organochloride - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as 4-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 4-position of the benzene ring.
External Descriptors
Not available