Compound Identification
SMILES
COC(=O)C(C)(C)OCC1=CC2=C(C=CC(Cl)=C2)N1S(=O)(=O)C1=CC2=C(C=C1)N=C(NC(C)=O)S2
InChIKey
InChIKey=VFFCDUGOYJCXMI-UHFFFAOYSA-N
Formula
C23H22ClN3O6S2
Mass
536.01
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Benzothiazoles
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzothiazoles
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Benzothiazoles
Alternative Parents
N-acetylarylamines Indoles Substituted pyrroles Aryl chlorides Benzenoids Thiazoles Sulfonyls Organosulfonic acids and derivatives Acetamides Methyl esters Heteroaromatic compounds Secondary carboxylic acid amides Monocarboxylic acids and derivatives Azacyclic compounds Dialkyl ethers Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Indole or derivatives - Indole - N-acetylarylamine - 1,3-benzothiazole - N-arylamide - Aryl chloride - Aryl halide - Substituted pyrrole - Benzenoid - Methyl ester - Azole - Thiazole - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Pyrrole - Acetamide - Heteroaromatic compound - Carboxylic acid ester - Secondary carboxylic acid amide - Carboxamide group - Azacycle - Carboxylic acid derivative - Dialkyl ether - Ether - Monocarboxylic acid or derivatives - Organic oxide - Organic oxygen compound - Organosulfur compound - Organic nitrogen compound - Carbonyl group - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organohalogen compound - Organochloride - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzothiazoles. These are organic compounds containing a benzene fused to a thiazole ring (a five-membered ring with four carbon atoms, one nitrogen atom and one sulfur atom).
External Descriptors
Not available