Compound Identification
SMILES
O=C(CCC1=NC2=CC=CC=C2S1)OCC(=O)C12CC3CC(CC(C3)C1)C2
InChIKey
InChIKey=MAIRLPIGJQAVHH-UHFFFAOYSA-N
Formula
C22H25NO3S
Mass
383.51
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
Fatty acid esters Alpha-acyloxy ketones Benzenoids Thiazoles Heteroaromatic compounds Ketones Carboxylic acid esters Monocarboxylic acids and derivatives Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1,3-benzothiazole - Fatty acid ester - Alpha-acyloxy ketone - Fatty acyl - Benzenoid - Azole - Heteroaromatic compound - Thiazole - Carboxylic acid ester - Ketone - Carboxylic acid derivative - Azacycle - Monocarboxylic acid or derivatives - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Organonitrogen compound - Organooxygen 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