Compound Identification
SMILES
CCSCCOC(=O)C1=C(C)NC2=C(C1C1=CC3=C(OCO3)C=C1Br)C(=O)C(C(C)C2)C(=O)OC
InChIKey
InChIKey=BBVHITNCPLTGQS-UHFFFAOYSA-N
Formula
C25H28BrNO7S
Mass
566.46
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
Cyclohexenones Dihydropyridines 1,3-dicarbonyl compounds Aryl bromides Benzenoids Dicarboxylic acids and derivatives Vinylogous amides Methyl esters Enoate esters Amino acids and derivatives Sulfenyl compounds Acetals Oxacyclic compounds Azacyclic compounds Dialkylamines Enamines Dialkylthioethers Organic oxides Organopnictogen compounds Aldehydes Hydrocarbon derivatives Organobromides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzodioxole - Cyclohexenone - Dihydropyridine - Aryl bromide - Aryl halide - Dicarboxylic acid or derivatives - Benzenoid - 1,3-dicarbonyl compound - Vinylogous amide - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Methyl ester - Amino acid or derivatives - Carboxylic acid ester - Ketone - Acetal - Carboxylic acid derivative - Secondary aliphatic amine - Oxacycle - Azacycle - Enamine - Dialkylthioether - Secondary amine - Thioether - Sulfenyl compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organic oxygen compound - Organopnictogen compound - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxide - Carbonyl group - Aldehyde - 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