Compound Identification
SMILES
CCN(CC1=CC2=C(OCO2)C=C1)C(=O)COC(=O)C1=CC2=C(F)C=CC=C2S1
InChIKey
InChIKey=NWIPHDTZLDMCAZ-UHFFFAOYSA-N
Formula
C21H18FNO5S
Mass
415.44
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
1-benzothiophenes Thiophene carboxylic acids and derivatives 2,3,5-trisubstituted thiophenes Aryl fluorides Benzenoids Tertiary carboxylic acid amides Heteroaromatic compounds Carboxylic acid esters Oxacyclic compounds Acetals Monocarboxylic acids and derivatives Carbonyl compounds Hydrocarbon derivatives Organic oxides Organofluorides Organonitrogen compounds Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzodioxole - Benzothiophene - 1-benzothiophene - Thiophene carboxylic acid or derivatives - 2,3,5-trisubstituted thiophene - Aryl fluoride - Aryl halide - Benzenoid - Tertiary carboxylic acid amide - Heteroaromatic compound - Thiophene - Carboxamide group - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Acetal - Oxacycle - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Carbonyl group - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - 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