Compound Identification
SMILES
CCCC1=CC=C(OC(=O)C2=C(C)C3=C(S2)N=CN(CC2=CC(F)=CC=C2)C3=O)C=C1
InChIKey
InChIKey=SECCZBWHOMXXBO-UHFFFAOYSA-N
Formula
C24H21FN2O3S
Mass
436.5
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
- Class Phenol esters
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Phenol esters
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Phenol esters
Alternative Parents
Thienopyrimidines Phenylpropanes Thiophene carboxylic acids and derivatives Phenoxy compounds Pyrimidones Fluorobenzenes Aryl fluorides Heteroaromatic compounds Lactams Carboxylic acid esters Azacyclic compounds Organic oxides Hydrocarbon derivatives Organooxygen compounds Organonitrogen compounds Organofluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phenol ester - Phenylpropane - Thienopyrimidine - Phenoxy compound - Thiophene carboxylic acid or derivatives - Fluorobenzene - Halobenzene - Pyrimidone - Monocyclic benzene moiety - Aryl halide - Pyrimidine - Aryl fluoride - Thiophene - Heteroaromatic compound - Carboxylic acid ester - Lactam - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as phenol esters. These are aromatic compounds containing a benzene ring substituted by a hydroxyl group and an ester group.
External Descriptors
Not available