Compound Identification
SMILES
C.[H]C(=O)N(CC1=CN=C(C)N=C1N)C(C)=C(CCOC(=O)C1=CC=CC=C1)SC(=O)C1=CC=CC=C1
InChIKey
InChIKey=OFNISPXPYWHRNI-UHFFFAOYSA-N
Formula
C27H30N4O4S
Mass
506.62
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
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
-
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
Thiobenzoic acids and derivatives Benzoyl derivatives Pyrimidines and pyrimidine derivatives Imidolactams Tertiary carboxylic acid amides Heteroaromatic compounds Thioesters Carboxylic acid esters Carbothioic S-esters Sulfenyl compounds Monocarboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Saturated hydrocarbons
Molecular Framework
Not available
Substituents
Benzoate ester - Thiobenzoic acid or derivatives - Benzoyl - Imidolactam - Pyrimidine - Heteroaromatic compound - Tertiary carboxylic acid amide - Carbothioic s-ester - Thiocarboxylic acid ester - Carboxylic acid ester - Carboxamide group - Azacycle - Organoheterocyclic compound - Sulfenyl compound - Thiocarboxylic acid or derivatives - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Saturated hydrocarbon - Hydrocarbon - 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