Compound Identification
SMILES
COC(=O)C1=C(C)N=C(NC(=O)C2=C(Cl)C=CC=C2Cl)S1
InChIKey
InChIKey=TWKDNGUMVBYOHX-UHFFFAOYSA-N
Formula
C13H10Cl2N2O3S
Mass
345.19
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
2-halobenzoic acids and derivatives
Alternative Parents
Benzamides 2,4,5-trisubstituted thiazoles Thiazolecarboxylic acids and derivatives Benzoyl derivatives Dichlorobenzenes Aryl chlorides Vinylogous halides Heteroaromatic compounds Methyl esters Secondary carboxylic acid amides Azacyclic compounds Organochlorides Organonitrogen compounds Organooxygen compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2-halobenzoic acid or derivatives - Benzamide - 2,4,5-trisubstituted 1,3-thiazole - Benzoyl - Thiazolecarboxylic acid or derivatives - 1,3-dichlorobenzene - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Azole - Heteroaromatic compound - Vinylogous halide - Methyl ester - Thiazole - Carboxamide group - Carboxylic acid ester - Secondary carboxylic acid amide - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - 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 2-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 2-position of the benzene ring.
External Descriptors
Not available