Compound Identification
SMILES
CCOC(=O)C1=CC=C(C=C1)C1=CC=C(O1)C=C(C#N)C(=O)NC1=C(C(N)=O)C2=C(CCCC2)S1
InChIKey
InChIKey=CIUSMJHWPLYHNB-UHFFFAOYSA-N
Formula
C26H23N3O5S
Mass
489.55
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 Benzoyl derivatives N-arylamides Vinylogous amides Furans Heteroaromatic compounds Secondary carboxylic acid amides Carboxylic acid esters Primary carboxylic acid amides Monocarboxylic acids and derivatives Oxacyclic compounds Nitriles Hydrocarbon derivatives Carbonyl compounds Organopnictogen compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzoate ester - Benzoyl - Thiophene carboxamide - Thiophene carboxylic acid or derivatives - N-arylamide - Furan - Thiophene - Heteroaromatic compound - Vinylogous amide - Carboxamide group - Carboxylic acid ester - Primary carboxylic acid amide - Secondary carboxylic acid amide - Nitrile - Carbonitrile - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Oxacycle - Organoheterocyclic compound - Cyanide - Carbonyl group - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic nitrogen 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