Compound Identification
SMILES
COC(=O)C1=CC=C(COC2=CC=CC(=O)\C2=C2/NC3=C(S2)C=C(C=C3)C(=O)N(C)CCN(C)C)C=C1
InChIKey
InChIKey=CSSACLLQOFOGSK-QPLCGJKRSA-N
Formula
C28H29N3O5S
Mass
519.62
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
Benzothiazoles O-quinomethanes Benzoyl derivatives Aryl thioethers Vinylogous thioesters Vinylogous amides Thiazoles Tertiary carboxylic acid amides Methyl esters Trialkylamines Ketene acetals Amino acids and derivatives Azacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzoate ester - Benzo-thiazole - 1,2-benzothiazole - 1,3-benzothiazole - O-quinomethane - Aryl thioether - Benzoyl - Quinomethane - Vinylogous thioester - Vinylogous amide - Methyl ester - Tertiary carboxylic acid amide - Thiazole - Carboxamide group - Carboxylic acid ester - Ketene acetal or derivatives - Tertiary aliphatic amine - Tertiary amine - Cyclic ketone - Amino acid or derivatives - Ketone - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Amine - Carbonyl group - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - 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