Compound Identification
SMILES
NC1=C(C#N)C(C2=CC=C(OC(=O)C3=CC=CS3)C=C2)C2=C(CCCC2=O)O1
InChIKey
InChIKey=OLHORZVZNPZQGU-UHFFFAOYSA-N
Formula
C21H16N2O4S
Mass
392.43
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
Thiophene carboxylic acids and derivatives Phenoxy compounds Cyclohexenones Pyrans Vinylogous esters Heteroaromatic compounds Ketene acetals Carboxylic acid esters Oxacyclic compounds Nitriles Monocarboxylic acids and derivatives Organopnictogen compounds Organic oxides Monoalkylamines Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phenol ester - Phenoxy compound - Thiophene carboxylic acid or derivatives - Cyclohexenone - Monocyclic benzene moiety - Pyran - Thiophene - Heteroaromatic compound - Vinylogous ester - Carboxylic acid ester - Ketene acetal or derivatives - Ketone - Carbonitrile - Nitrile - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Oxacycle - Organoheterocyclic compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Primary aliphatic amine - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Carbonyl group - 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