Compound Identification
SMILES
CCOC(=O)CC1=C(C=CC=N1)C(=O)NC1=CC2=C(C=C1)N=C(SCCOC(C)=O)S2
InChIKey
InChIKey=MIZWKGMAJZTNJP-UHFFFAOYSA-N
Formula
C21H21N3O5S2
Mass
459.54
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
Nicotinamides Alkylarylthioethers Dicarboxylic acids and derivatives Benzenoids Thiazoles Heteroaromatic compounds Secondary carboxylic acid amides Carboxylic acid esters Sulfenyl compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1,3-benzothiazole - Nicotinamide - Pyridine carboxylic acid or derivatives - Aryl thioether - Alkylarylthioether - Dicarboxylic acid or derivatives - Pyridine - Benzenoid - Azole - Thiazole - Heteroaromatic compound - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Thioether - Azacycle - Sulfenyl compound - Carboxylic acid derivative - Organic nitrogen compound - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Organosulfur compound - Organic oxide - Carbonyl group - Hydrocarbon derivative - 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