Compound Identification
SMILES
OC(=O)CCC(O)=O.CCCOC1=C(Br)C=C2N3SC3SC2=C1
InChIKey
InChIKey=ZMFSHFRVPRIRSP-UHFFFAOYSA-N
Formula
C14H16BrNO5S2
Mass
422.31
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
Phenol ethers Alkylarylthioethers Alkyl aryl ethers Fatty acids and conjugates Dicarboxylic acids and derivatives Aryl bromides Thiazoles Thiaziridines Carboxylic acids Azacyclic compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Not available
Substituents
Benzo-thiazole - 1,3-benzothiazole - 1,2-benzothiazole - Aryl thioether - Phenol ether - Alkyl aryl ether - Alkylarylthioether - Aryl bromide - Aryl halide - Dicarboxylic acid or derivatives - Fatty acid - Benzenoid - Thiazole - Thiaziridine - Thioether - Carboxylic acid derivative - Carboxylic acid - Ether - Azacycle - Organic nitrogen compound - Organohalogen compound - Organobromide - Carbonyl group - Organonitrogen compound - 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