Compound Identification
SMILES
ClC1=CC2=C(C=C1)N=C(S2)N1C(C(C(=O)C2=CC=CO2)C(=O)C1=O)C1=CC=CO1
InChIKey
InChIKey=WDQWOQNTQWSXDL-UHFFFAOYSA-N
Formula
C20H11ClN2O5S
Mass
426.83
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
Aryl alkyl ketones Beta-diketones Pyrrolidine-3-ones Pyrrolidine-2-ones Aryl chlorides Benzenoids Thiazoles Tertiary carboxylic acid amides Furans Heteroaromatic compounds Cyclic ketones Lactams Oxacyclic compounds Azacyclic compounds Organic oxides Organochlorides Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1,3-benzothiazole - Aryl ketone - Aryl alkyl ketone - 1,3-diketone - Aryl chloride - Aryl halide - Pyrrolidone - 2-pyrrolidone - 3-pyrrolidone - 1,3-dicarbonyl compound - Benzenoid - Heteroaromatic compound - Thiazole - Tertiary carboxylic acid amide - Azole - Pyrrolidine - Furan - Cyclic ketone - Carboxamide group - Ketone - Lactam - Oxacycle - Azacycle - Carboxylic acid derivative - Carbonyl group - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - 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