Compound Identification
SMILES
CCCCCCC1=CC2=C(SC(=N2)C(CCCCC)(C(CCCCC)C(O)=O)C(S)=O)C=C1
InChIKey
InChIKey=MBZDXVPDOSICGS-UHFFFAOYSA-N
Formula
C27H41NO3S2
Mass
491.75
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
Medium-chain fatty acids Thia fatty acids Methyl-branched fatty acids Heterocyclic fatty acids Benzenoids Thiazoles Heteroaromatic compounds Carbothioic S-acids Carbodithioic acids Thiocarboxylic acids and derivatives Alkylthiols Azacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1,3-benzothiazole - Medium-chain fatty acid - Branched fatty acid - Heterocyclic fatty acid - Thia fatty acid - Methyl-branched fatty acid - Fatty acyl - Fatty acid - Benzenoid - Azole - Heteroaromatic compound - Thiazole - Carbodithioic acid - Carbothioic s-acid - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Alkylthiol - Azacycle - Thiocarboxylic acid or derivatives - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - 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