Compound Identification
SMILES
CCCCCCCN1C(=O)CC(SC1=NC1=CC=C(C=C1)C(=O)OCC)C(=O)NC1=CC=C(F)C=C1
InChIKey
InChIKey=ATXUBCGMNGQJON-UHFFFAOYSA-N
Formula
C27H32FN3O4S
Mass
513.63
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
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
Anilides N-arylamides Benzoyl derivatives Fluorobenzenes Thiazinanes Aryl fluorides Secondary carboxylic acid amides Isothioureas Carboxylic acid esters Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzoate ester - Anilide - Benzoyl - N-arylamide - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - 1,3-thiazinane - Carboxamide group - Carboxylic acid ester - Secondary carboxylic acid amide - Isothiourea - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organooxygen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Aromatic heteromonocyclic 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