Compound Identification
SMILES
COC1=CC=CC=C1C(=S)NC1=CC(C(=O)OC2CCCCC2)=C(Cl)C=C1
InChIKey
InChIKey=ZSEMGBQUZNDLDF-UHFFFAOYSA-N
Formula
C21H22ClNO3S
Mass
403.92
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
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
2-halobenzoic acids and derivatives Anisoles Benzoyl derivatives Methoxybenzenes Phenoxy compounds Chlorobenzenes Alkyl aryl ethers Aryl chlorides Vinylogous halides Thioamides Carboxylic acid esters Thiocarboxylic acid amides Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Thiocarbonyl compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Halobenzoic acid or derivatives - 2-halobenzoic acid or derivatives - Benzoate ester - Phenoxy compound - Anisole - Methoxybenzene - Benzoyl - Phenol ether - Alkyl aryl ether - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Vinylogous halide - Thioamide - Carboxylic acid ester - Thiocarboxylic acid amide - Carboxylic acid derivative - Ether - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Thiocarbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organohalogen compound - Organochloride - Aromatic homomonocyclic 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