Compound Identification
SMILES
COC(=O)C1=CC(=O)N=C2SC3=C(C=CC(Br)=C3)N12
InChIKey
InChIKey=IXCDJYWFNZGYRS-UHFFFAOYSA-N
Formula
C12H7BrN2O3S
Mass
339.16
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
Pyrimidinecarboxylic acids Pyrimidones Benzenoids Aryl bromides Vinylogous amides Thiazoles Methyl esters Heteroaromatic compounds Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1,3-benzothiazole - Pyrimidine-6-carboxylic acid - Pyrimidine-6-carboxylic acid or derivatives - Pyrimidone - Aryl bromide - Aryl halide - Pyrimidine - Benzenoid - Azole - Heteroaromatic compound - Vinylogous amide - Thiazole - Methyl ester - Carboxylic acid ester - Carboxylic acid derivative - Azacycle - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Organic nitrogen compound - Organic oxygen compound - Organic oxide - 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