Compound Identification
SMILES
OC[C@H]1C[C@H]2[C@@H](CF)SC(NC(=O)C3=CC=CC=C3)=N[C@]2(CO1)C1=C(F)C=C(F)C=C1
InChIKey
InChIKey=GVDODWGEJFOWJY-MDDDDHJVSA-N
Formula
C22H21F3N2O3S
Mass
450.48
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- 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 acids and derivatives
Alternative Parents
Benzoyl derivatives Fluorobenzenes Oxanes 1,3-thiazines Aryl fluorides Isothioureas Oxacyclic compounds Dialkyl ethers Carboxylic acids and derivatives Carboximidamides Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides Primary alcohols
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzoic acid or derivatives - Benzoyl - Fluorobenzene - Halobenzene - Meta-thiazine - Aryl fluoride - Aryl halide - Oxane - Isothiourea - Oxacycle - Carboxylic acid derivative - Dialkyl ether - Ether - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Alkyl halide - Alkyl fluoride - Alcohol - Organic oxygen compound - Organic oxide - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Primary alcohol - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzoic acids and derivatives. These are organic compounds containing a carboxylic acid substituent attached to a benzene ring.
External Descriptors
Not available