Compound Identification
SMILES
CC(=O)SCCCCCCCCCCCOC(=O)C1=CC=C(C=C1)C#N
InChIKey
InChIKey=SRSXKZDIMBXUGA-UHFFFAOYSA-N
Formula
C21H29NO3S
Mass
375.53
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
Benzoyl derivatives Benzonitriles Thioesters Carboxylic acid esters Carbothioic S-esters Sulfenyl compounds Nitriles Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Benzoate ester - Benzonitrile - Benzoyl - Carboxylic acid ester - Thiocarboxylic acid ester - Carbothioic s-ester - Carboxylic acid derivative - Carbonitrile - Nitrile - Thiocarboxylic acid or derivatives - Sulfenyl compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Organooxygen compound - Organosulfur compound - Cyanide - Hydrocarbon derivative - Carbonyl group - 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