Compound Identification
SMILES
O=CC1=CC=C(C=C1)C(=O)OCC(=O)NC1=C(C#N)C2=C(CCCC2)S1
InChIKey
InChIKey=YGBVNCLKGWQZHA-UHFFFAOYSA-N
Formula
C19H16N2O4S
Mass
368.41
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
N-arylamides Benzoyl derivatives Benzaldehydes Thiophenes Heteroaromatic compounds Secondary carboxylic acid amides Carboxylic acid esters Nitriles Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzoate ester - Benzaldehyde - Benzoyl - N-arylamide - Aryl-aldehyde - Thiophene - Heteroaromatic compound - Carboxamide group - Carboxylic acid ester - Secondary carboxylic acid amide - Nitrile - Carbonitrile - Carboxylic acid derivative - Organoheterocyclic compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Aldehyde - Carbonyl group - Cyanide - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Aromatic heteropolycyclic 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