Compound Identification
SMILES
COC1=C(OC(=O)C2=C(Cl)C3=CC=CC=C3S2)C=CC(\C=N\NC(=O)COC2=CC=CC(C)=C2)=C1
InChIKey
InChIKey=KKHIKHQUADOUEA-CCVNUDIWSA-N
Formula
C26H21ClN2O5S
Mass
508.97
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 Anisoles Methoxybenzenes Phenoxy compounds Thiophene carboxylic acids and derivatives Alkyl aryl ethers Toluenes Aryl chlorides Heteroaromatic compounds Vinylogous halides Carboxylic acid esters Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phenol ester - Benzothiophene - 1-benzothiophene - Anisole - Phenoxy compound - Phenol ether - Thiophene carboxylic acid or derivatives - Methoxybenzene - Toluene - Alkyl aryl ether - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Vinylogous halide - Thiophene - Heteroaromatic compound - Carboxylic acid ester - Organoheterocyclic compound - Carboxylic acid derivative - Ether - Organic oxide - Organohalogen compound - Organochloride - Carbonyl group - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - 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