Compound Identification
SMILES
COC(=O)C1=CC=C(CSC2=NC=NC3=C2SC(=C3)C2=CC=C(F)C=C2)C=C1
InChIKey
InChIKey=FJCLIMZBETXQDO-UHFFFAOYSA-N
Formula
C21H15FN2O2S2
Mass
410.48
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Benzoic acids and derivatives
- Level 5 Benzoic acid esters
-
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 2,3,5-trisubstituted thiophenes Benzoyl derivatives Alkylarylthioethers Fluorobenzenes Pyrimidines and pyrimidine derivatives Aryl fluorides Heteroaromatic compounds Methyl esters Sulfenyl compounds Azacyclic compounds Organic oxides Organofluorides Organonitrogen compounds Hydrocarbon derivatives Organooxygen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzoate ester - Thienopyrimidine - Aryl thioether - Benzoyl - 2,3,5-trisubstituted thiophene - Fluorobenzene - Halobenzene - Alkylarylthioether - Aryl halide - Aryl fluoride - Pyrimidine - Heteroaromatic compound - Methyl ester - Thiophene - Carboxylic acid ester - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Sulfenyl compound - Thioether - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organofluoride - Organonitrogen compound - Organooxygen compound - Organosulfur 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