Compound Identification
SMILES
NC1=C(C#N)C(C2=CC3=C(OCO3)C=C2)C2=C(CCCC2=O)N1C1=C(C#N)C2=C(S1)N1CCC2CC1
InChIKey
InChIKey=ASLFRLMOORIYNI-UHFFFAOYSA-N
Formula
C27H23N5O3S
Mass
497.57
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
3,4,5-trisubstituted-2-aminothiophenes Dialkylarylamines Cyclohexenones Dihydropyridines Piperidines Benzenoids Vinylogous amides Heteroaromatic compounds Ketene acetals Acetals Nitriles Oxacyclic compounds Azacyclic compounds Organic oxides Organopnictogen compounds Aldehydes Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzodioxole - 3,4,5-trisubstituted-2-aminothiophene - Dialkylarylamine - Dihydropyridine - Cyclohexenone - Piperidine - Benzenoid - 2-aminothiophene - Thiophene - Vinylogous amide - Heteroaromatic compound - Ketene acetal or derivatives - Ketone - Oxacycle - Azacycle - Carbonitrile - Nitrile - Acetal - Organonitrogen compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - Organooxygen compound - Organopnictogen compound - Carbonyl group - Cyanide - Aldehyde - 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