Compound Identification
SMILES
CSC1=NN(C(=S)S1)C1=CC=C(C=C1)C(=O)OCC(=O)C1=C(C)C(C(C)=O)=C(C)N1
InChIKey
InChIKey=DMMUEPLTYOXHJW-UHFFFAOYSA-N
Formula
C20H19N3O4S3
Mass
461.57
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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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
Benzoyl derivatives Aryl alkyl ketones Alkylarylthioethers Substituted pyrroles Vinylogous amides Thiadiazoles Heteroaromatic compounds Carboxylic acid esters Sulfenyl compounds Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzoate ester - Aryl thioether - Benzoyl - Aryl alkyl ketone - Aryl ketone - Alkylarylthioether - Substituted pyrrole - Azole - Heteroaromatic compound - Pyrrole - Vinylogous amide - Thiadiazole - Carboxylic acid ester - Ketone - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Sulfenyl compound - Thioether - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Organic oxide - 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