Compound Identification
SMILES
BrC1=CC2=C(OCO2)C=C1\C=N\NC(=O)CSCC1=CC=CC=C1
InChIKey
InChIKey=ROXKKEZFYPCNHN-UFWORHAWSA-N
Formula
C17H15BrN2O3S
Mass
407.28
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
Benzene and substituted derivatives Aryl bromides Sulfenyl compounds Oxacyclic compounds Dialkylthioethers Carboxylic acids and derivatives Acetals Organopnictogen compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzodioxole - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Acetal - Carboxylic acid derivative - Thioether - Sulfenyl compound - Dialkylthioether - Oxacycle - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Carbonyl group - Organosulfur compound - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Organopnictogen compound - Organic oxide - 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