Compound Identification
SMILES
COC1=C(OCC#C)C(Br)=CC(C=C2SC(=O)N(CC3=CC4=C(OCO4)C=C3Cl)C2=O)=C1
InChIKey
InChIKey=KXHQTJLPUGZBBX-UHFFFAOYSA-N
Formula
C22H15BrClNO6S
Mass
536.78
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
Phenoxy compounds Anisoles Methoxybenzenes Alkyl aryl ethers Thiazolidinediones Bromobenzenes Aryl bromides Aryl chlorides Dicarboximides Organic carbonic acids and derivatives Thiocarbamic acid derivatives Azacyclic compounds Acetylides Acetals Oxacyclic compounds Organic oxides Organonitrogen compounds Hydrocarbon derivatives Carbonyl compounds Organopnictogen compounds Organobromides Organochlorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzodioxole - Phenol ether - Phenoxy compound - Anisole - Methoxybenzene - Halobenzene - Alkyl aryl ether - Thiazolidinedione - Bromobenzene - Aryl bromide - Benzenoid - Aryl chloride - Monocyclic benzene moiety - Aryl halide - Thiazolidine - Dicarboximide - Thiocarbamic acid derivative - Carbonic acid derivative - Acetal - Acetylide - Oxacycle - Azacycle - Carboxylic acid derivative - Ether - Organopnictogen compound - Carbonyl group - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organic nitrogen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organobromide - 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