Compound Identification
SMILES
Cl.CCCCOC(=O)C1=CC=C(NC2=C3C(SC(C)=C3C3=CC=CC=C3)=NC=N2)C=C1
InChIKey
InChIKey=PIBJEGQLHZVCSL-UHFFFAOYSA-N
Formula
C24H24ClN3O2S
Mass
453.99
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Benzenoids
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Class
Benzene and substituted derivatives
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Subclass
Benzoic acids and derivatives
- Level 5 Benzoic acid esters
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Subclass
Benzoic acids and derivatives
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Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzoic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Benzoic acid esters
Alternative Parents
Thienopyrimidines Benzoyl derivatives Aniline and substituted anilines Aminopyrimidines and derivatives Imidolactams Thiophenes Heteroaromatic compounds Carboxylic acid esters Amino acids and derivatives Secondary amines Azacyclic compounds Organooxygen compounds Organic oxides Hydrochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzoate ester - Thienopyrimidine - Benzoyl - Aniline or substituted anilines - Aminopyrimidine - Pyrimidine - Imidolactam - Heteroaromatic compound - Thiophene - Amino acid or derivatives - Carboxylic acid ester - Carboxylic acid derivative - Azacycle - Secondary amine - Organoheterocyclic compound - Organonitrogen compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Hydrochloride - Organic oxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic acid.
External Descriptors
Not available