Compound Identification
SMILES
COC(=O)C1=CC=C(C=C1)C1=CC=C(O1)C=C1C(=N)N2N=C(SC2=NC1=O)C1=CC=C(C)C=C1
InChIKey
InChIKey=QHQDLOBGPLQTHB-UHFFFAOYSA-N
Formula
C25H18N4O4S
Mass
470.5
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
Benzoyl derivatives Toluenes Pyrimidones Hydropyrimidines Imidolactams Thiadiazolines Furans Heteroaromatic compounds Methyl esters N-acylimines Oxacyclic compounds Propargyl-type 1,3-dipolar organic compounds Amidines Azacyclic compounds Monocarboxylic acids and derivatives Carbonyl compounds Hydrocarbon derivatives Organic oxides Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzoate ester - Benzoyl - Pyrimidone - Toluene - Hydropyrimidine - 1,4,5,6-tetrahydropyrimidine - Pyrimidine - Imidolactam - Furan - Heteroaromatic compound - Thiadiazoline - Methyl ester - N-acylimine - Carboxylic acid ester - Organoheterocyclic compound - Oxacycle - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Amidine - Organic oxygen compound - Organopnictogen compound - Organic oxide - Organonitrogen compound - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic nitrogen compound - 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