Compound Identification
SMILES
CC1=C(SC2=C1C(=O)N(CC1=CC=CC=C1Cl)C=N2)C(=O)OC1=CC=C(C=C1)C#N
InChIKey
InChIKey=UPOSVQDWPSFUPZ-UHFFFAOYSA-N
Formula
C22H14ClN3O3S
Mass
435.88
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 Thiophene carboxylic acids and derivatives Benzonitriles Phenoxy compounds Pyrimidones Chlorobenzenes Aryl chlorides Heteroaromatic compounds Lactams Carboxylic acid esters Nitriles Azacyclic compounds Organic oxides Hydrocarbon derivatives Organochlorides Organooxygen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phenol ester - Thienopyrimidine - Phenoxy compound - Benzonitrile - Thiophene carboxylic acid or derivatives - Chlorobenzene - Halobenzene - Pyrimidone - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Pyrimidine - Heteroaromatic compound - Thiophene - Carboxylic acid ester - Lactam - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Carbonitrile - Nitrile - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Cyanide - Organic oxide - Organohalogen compound - Organochloride - Organonitrogen 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