Compound Identification
SMILES
COC(=O)C1[C@H](C2=CC3=C(OCO3)C=C2)C2=C(C[C@@H](CC2=O)C2=CC=CS2)N=C1C
InChIKey
InChIKey=LGPOAOUCDCIRMW-YZIZEKMBSA-N
Formula
C23H21NO5S
Mass
423.48
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 Benzenoids Thiophenes Methyl esters Heteroaromatic compounds Ketimines Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Monocarboxylic acids and derivatives Azacyclic compounds Acetals Organopnictogen compounds Organic oxides Hydrocarbon derivatives Aldehydes
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzodioxole - Cyclohexenone - Benzenoid - Thiophene - Methyl ester - Heteroaromatic compound - Carboxylic acid ester - Ketimine - Ketone - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Oxacycle - Azacycle - Carboxylic acid derivative - Acetal - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organonitrogen compound - Aldehyde - Imine - Organooxygen compound - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - 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