Compound Identification
SMILES
COC(=O)C1=NN(C2=CC=CC(C)=C2)[C@]2(S\C(=C\C3=CC4=C(OCO4)C=C3)C(=O)N2C2=CC=CC=C2)S1
InChIKey
InChIKey=MJUQKOPIOLXWLU-UQZLWQNHSA-N
Formula
C27H21N3O5S2
Mass
531.6
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
Toluenes Thiazolidines Thiadiazolines Tertiary carboxylic acid amides Methyl esters Thioenol ethers Lactams Oxacyclic compounds Acetals Azacyclic compounds Monocarboxylic acids and derivatives Hydrazones Hydrocarbon derivatives Carbonyl compounds Organic oxides Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzodioxole - Toluene - Monocyclic benzene moiety - Benzenoid - Tertiary carboxylic acid amide - Thiadiazoline - Thiazolidine - Methyl ester - Carboxamide group - Carboxylic acid ester - Thioenolether - Lactam - Oxacycle - Azacycle - Carboxylic acid derivative - Hydrazone - Monocarboxylic acid or derivatives - Acetal - Organic oxide - Organopnictogen compound - Hydrocarbon derivative - Organic nitrogen compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organic oxygen 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