Compound Identification
SMILES
COC(=O)C1=CC=C(CSC2=NC3=C(C4=C(CCCC4)S3)C(=O)N2CCC2=CC=CC=C2)C=C1
InChIKey
InChIKey=VCQHDUCREWVKRW-UHFFFAOYSA-N
Formula
C27H26N2O3S2
Mass
490.64
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
-
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 Pyrimidones Alkylarylthioethers Thiophenes Methyl esters Heteroaromatic compounds Lactams Sulfenyl compounds Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzoate ester - Thienopyrimidine - Aryl thioether - Benzoyl - Pyrimidone - Alkylarylthioether - Pyrimidine - Heteroaromatic compound - Methyl ester - Thiophene - Carboxylic acid ester - Lactam - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Sulfenyl compound - Thioether - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organosulfur compound - Organic nitrogen compound - Organic oxygen compound - Organic oxide - 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