Compound Identification
SMILES
CC1=CC=C(C=C1)C(=O)OC1=COC(CSC2=NN=C(NC(=O)C3=CC=CS3)S2)=CC1=O
InChIKey
InChIKey=SYYYBEZSEHDBSK-UHFFFAOYSA-N
Formula
C21H15N3O5S3
Mass
485.55
Taxonomic Classification
Taxonomy Tree
-
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
Thiophene carboxamides 2-heteroaryl carboxamides Benzoyl derivatives Toluenes Alkylarylthioethers Pyranones and derivatives Thiadiazoles Heteroaromatic compounds Secondary carboxylic acid amides Carboxylic acid esters Cyclic ketones Azacyclic compounds Sulfenyl compounds Oxacyclic compounds Organonitrogen compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzoate ester - 2-heteroaryl carboxamide - Thiophene carboxamide - Aryl thioether - Benzoyl - Thiophene carboxylic acid or derivatives - Toluene - Alkylarylthioether - Pyranone - Pyran - Azole - Thiadiazole - Thiophene - Heteroaromatic compound - Cyclic ketone - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Carboxylic acid derivative - Oxacycle - Azacycle - Organoheterocyclic compound - Sulfenyl compound - Thioether - Organonitrogen compound - Organic nitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - 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