Compound Identification
SMILES
CCCCC1=CC=C(OCC(=O)NN=CC2=CC(OC(=O)C3=C(Cl)C4=CC=CC=C4S3)=CC=C2)C=C1
InChIKey
InChIKey=ZNVCHDVYRUIVNA-UHFFFAOYSA-N
Formula
C28H25ClN2O4S
Mass
521.03
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
1-benzothiophenes Thiophene carboxylic acids and derivatives Phenoxy compounds Phenol ethers Alkyl aryl ethers Aryl chlorides Vinylogous halides Heteroaromatic compounds Carboxylic acid esters Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phenol ester - Benzothiophene - 1-benzothiophene - Thiophene carboxylic acid or derivatives - Phenol ether - Phenoxy compound - Alkyl aryl ether - Aryl halide - Monocyclic benzene moiety - Aryl chloride - Heteroaromatic compound - Vinylogous halide - Thiophene - Carboxylic acid ester - Organoheterocyclic compound - Ether - Carboxylic acid derivative - Organic nitrogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen 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