Compound Identification
SMILES
CC(C)(C)OC(=O)C1=NOC(CNC(=O)CC2=NN=C(CC3=NC4=C(S3)C=CC(Cl)=C4)O2)=C1
InChIKey
InChIKey=WSAYOPPGCLTQNZ-UHFFFAOYSA-N
Formula
C21H20ClN5O5S
Mass
489.93
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
Benzenoids Aryl chlorides Thiazoles Isoxazoles Heteroaromatic compounds 1,3,4-oxadiazoles Secondary carboxylic acid amides Carboxylic acid esters Oxacyclic compounds Azacyclic compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1,3-benzothiazole - Aryl chloride - Aryl halide - Benzenoid - 1,3,4-oxadiazole - Azole - Heteroaromatic compound - Thiazole - Oxadiazole - Isoxazole - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Oxacycle - Azacycle - Carboxylic acid derivative - Organic nitrogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen 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