Compound Identification
SMILES
CCOC(=O)C1=CC=C(C=C1)N1C(=S)SC2=C1N=C(SCC(=O)NC1CCCCC1)N(CC1CCCO1)C2=O
InChIKey
InChIKey=JFIVKMFSQGZETL-UHFFFAOYSA-N
Formula
C27H32N4O5S3
Mass
588.76
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 Alkylarylthioethers Pyrimidones Vinylogous amides Thiazoles Oxolanes Heteroaromatic compounds Secondary carboxylic acid amides Carboxylic acid esters Lactams Sulfenyl compounds Azacyclic compounds Oxacyclic compounds Dialkyl ethers Monocarboxylic acids and derivatives Carbonyl compounds Organonitrogen compounds Hydrocarbon derivatives Organic oxides Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzoate ester - Aryl thioether - Benzoyl - Alkylarylthioether - Pyrimidone - Pyrimidine - Azole - Heteroaromatic compound - Oxolane - Vinylogous amide - Thiazole - Carboxamide group - Carboxylic acid ester - Lactam - Secondary carboxylic acid amide - Carboxylic acid derivative - Dialkyl ether - Ether - Oxacycle - Monocarboxylic acid or derivatives - Azacycle - Organoheterocyclic compound - Sulfenyl compound - Thioether - Organic oxygen compound - Organopnictogen compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxide - 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