Compound Identification
SMILES
CCOC(=O)C1=CC=C(CCNCC(O)C2=C(C)N=C(NC(C)=O)S2)C=C1
InChIKey
InChIKey=CQCRZYBCGBOPKZ-UHFFFAOYSA-N
Formula
C19H25N3O4S
Mass
391.49
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
Phenethylamines N-acetylarylamines 2,4,5-trisubstituted thiazoles Benzoyl derivatives Aralkylamines Heteroaromatic compounds Acetamides Carboxylic acid esters Secondary alcohols 1,2-aminoalcohols Amino acids and derivatives Secondary carboxylic acid amides Dialkylamines Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Aromatic alcohols Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzoate ester - Phenethylamine - N-acetylarylamine - 2,4,5-trisubstituted 1,3-thiazole - Benzoyl - N-arylamide - Aralkylamine - Heteroaromatic compound - Acetamide - Azole - Thiazole - Amino acid or derivatives - 1,2-aminoalcohol - Carboxamide group - Carboxylic acid ester - Secondary alcohol - Secondary carboxylic acid amide - Secondary aliphatic amine - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Secondary amine - Organooxygen compound - Organonitrogen compound - Amine - Carbonyl group - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Alcohol - Aromatic alcohol - 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