Compound Identification
SMILES
CCOC(=O)C1=C(NC(=O)C(=CC2=C(C)N(C(C)=C2)C2=CC3=C(OCO3)C=C2)C#N)SC2=C1CCCC2
InChIKey
InChIKey=RHGDHQFFAHZFLT-UHFFFAOYSA-N
Formula
C28H27N3O5S
Mass
517.6
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
Thiophene carboxylic acids and derivatives N-arylamides Substituted pyrroles Benzenoids Vinylogous amides Heteroaromatic compounds Secondary carboxylic acid amides Carboxylic acid esters Monocarboxylic acids and derivatives Oxacyclic compounds Azacyclic compounds Acetals Nitriles Organopnictogen compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzodioxole - Thiophene carboxylic acid or derivatives - N-arylamide - Substituted pyrrole - Benzenoid - Pyrrole - Heteroaromatic compound - Thiophene - Vinylogous amide - Carboxamide group - Carboxylic acid ester - Secondary carboxylic acid amide - Acetal - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Carbonitrile - Nitrile - Oxacycle - Azacycle - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Cyanide - Organic oxide - Hydrocarbon derivative - Organopnictogen 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