Compound Identification
SMILES
COC1=CC=C(CSC2=C(C=O)N(CC3=CC4=C(OCO4)C=C3Cl)C(C)=N2)C=C1
InChIKey
InChIKey=SAGIPXXUMVUXJM-UHFFFAOYSA-N
Formula
C21H19ClN2O4S
Mass
430.9
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 Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers Alkylarylthioethers Carbonylimidazoles Aryl-aldehydes Vinylogous thioesters N-substituted imidazoles Aryl chlorides Heteroaromatic compounds Sulfenyl compounds Oxacyclic compounds Acetals Azacyclic compounds Hydrocarbon derivatives Organic oxides Organochlorides Organonitrogen compounds Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1,2,4,5-tetrasubstituted imidazole - Benzodioxole - Phenol ether - Phenoxy compound - Methoxybenzene - Anisole - Aryl thioether - Alkylarylthioether - Imidazole-4-carbonyl group - Alkyl aryl ether - Aryl-aldehyde - Monocyclic benzene moiety - N-substituted imidazole - Vinylogous thioester - Benzenoid - Aryl halide - Aryl chloride - Heteroaromatic compound - Azole - Imidazole - Acetal - Oxacycle - Azacycle - Sulfenyl compound - Thioether - Ether - Organopnictogen compound - Organic oxygen compound - Aldehyde - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organosulfur compound - Organooxygen compound - Organohalogen compound - Organochloride - Organonitrogen 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