Compound Identification
SMILES
ClC1=CC=C(CN2C(=S)C3(COC4=CC5=C(OCO5)C=C34)C3=CC=CC=C23)O1
InChIKey
InChIKey=MHFSZNVZHOIYPN-UHFFFAOYSA-N
Formula
C21H14ClNO4S
Mass
411.86
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
Indoles and derivatives Coumarans Alkyl aryl ethers Aryl chlorides Benzenoids Thiolactams Heteroaromatic compounds Furans Acetals Oxacyclic compounds Azacyclic compounds Hydrocarbon derivatives Organochlorides Organonitrogen compounds Organopnictogen compounds Thiocarbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumaran - Benzodioxole - Indole or derivatives - Alkyl aryl ether - Aryl chloride - Aryl halide - Benzenoid - Heteroaromatic compound - Furan - Thiolactam - Acetal - Ether - Oxacycle - Azacycle - Organochloride - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Thiocarbonyl group - 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