Compound Identification
SMILES
CC1=C2[C@H](SCC(=O)N=C2N(N1)[C@@H]1CCOC(C)(C)C1)C1=CC2=C(OCO2)C=C1
InChIKey
InChIKey=WMUQYPYBTJRLKA-AUUYWEPGSA-N
Formula
C21H25N3O4S
Mass
415.51
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
Oxanes Benzenoids Pyrazolines N-acylimines Amidrazones Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Dialkylthioethers Dialkyl ethers Azacyclic compounds Acetals Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzodioxole - Oxane - Benzenoid - Pyrazoline - Carboxylic acid amidrazone - N-acylimine - Acetal - Carboxylic acid derivative - Dialkyl ether - Ether - Thioether - Oxacycle - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Dialkylthioether - Azacycle - Organopnictogen compound - Organic oxide - Carbonyl group - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Organonitrogen compound - Organooxygen 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