Compound Identification
SMILES
CCCCC1=NC(SC2CCCCC2)=C(N1CC1=CC2=C(OCO2)C=C1Cl)C(O)=O
InChIKey
InChIKey=AJJVAUWWVRIJTP-UHFFFAOYSA-N
Formula
C22H27ClN2O4S
Mass
450.98
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Benzodioxoles
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzodioxoles
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Benzodioxoles
Alternative Parents
1,2,4,5-tetrasubstituted imidazoles Alkylarylthioethers Carbonylimidazoles Vinylogous thioesters Aryl chlorides N-substituted imidazoles Benzenoids Heteroaromatic compounds Sulfenyl compounds Oxacyclic compounds Acetals Monocarboxylic acids and derivatives Azacyclic compounds Carboxylic acids Hydrocarbon derivatives Organic oxides Organochlorides Organonitrogen compounds Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1,2,4,5-tetrasubstituted imidazole - Benzodioxole - Aryl thioether - Imidazole-4-carbonyl group - Alkylarylthioether - Aryl chloride - Aryl halide - Vinylogous thioester - Benzenoid - N-substituted imidazole - Azole - Heteroaromatic compound - Imidazole - Acetal - Oxacycle - Carboxylic acid derivative - Carboxylic acid - Azacycle - Monocarboxylic acid or derivatives - Sulfenyl compound - Thioether - Organopnictogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzodioxoles. These are organic compounds containing a benzene ring fused to either isomers of dioxole. Dioxole is a five-membered unsaturated ring of two oxygen atoms and three carbon atoms.
External Descriptors
Not available