Compound Identification
SMILES
CCOC1=C(OCC)C=C(C=C1)C(=O)OCC(=O)N1CCN(CC1)C(=O)C1=CC=CS1
InChIKey
InChIKey=QLOVLMXYXYOQER-UHFFFAOYSA-N
Formula
C22H26N2O6S
Mass
446.52
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
Thiophene carboxamides Phenoxy compounds Phenol ethers Benzoyl derivatives 2-heteroaryl carboxamides Alkyl aryl ethers Piperazines Tertiary carboxylic acid amides Heteroaromatic compounds Carboxylic acid esters Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzoate ester - 2-heteroaryl carboxamide - Phenoxy compound - Benzoyl - Thiophene carboxylic acid or derivatives - Thiophene carboxamide - Phenol ether - Alkyl aryl ether - 1,4-diazinane - Piperazine - Heteroaromatic compound - Thiophene - Tertiary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Ether - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Organic oxygen compound - Organic oxide - Organonitrogen compound - Organooxygen 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