Compound Identification
SMILES
CCN1C(=O)CC(SC1=NC1=CC=C(C=C1)C(=O)OC)C(=O)NC1=CC(Cl)=C(C)C=C1
InChIKey
InChIKey=DVHUBWQHAALKNE-UHFFFAOYSA-N
Formula
C22H22ClN3O4S
Mass
459.95
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
Anilides Benzoyl derivatives N-arylamides Toluenes Chlorobenzenes Thiazinanes Aryl chlorides Methyl esters Secondary carboxylic acid amides Isothioureas Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxides Organochlorides Carbonyl compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzoate ester - Anilide - Benzoyl - N-arylamide - Chlorobenzene - Halobenzene - Toluene - Aryl chloride - Aryl halide - 1,3-thiazinane - Methyl ester - 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 - Organochloride - 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