Compound Identification
SMILES
CCOC(=O)C1=C(NC(=O)COC(=O)C2=CC=C(CO)C=C2)SC(C(=O)N(C)C)=C1C
InChIKey
InChIKey=MBCPMVLZNDIYJJ-UHFFFAOYSA-N
Formula
C21H24N2O7S
Mass
448.49
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
Thiophene carboxamides N-arylamides Benzyl alcohols Benzoyl derivatives 2-heteroaryl carboxamides Vinylogous amides Tertiary carboxylic acid amides Heteroaromatic compounds Secondary carboxylic acid amides Carboxylic acid esters Primary alcohols Organic oxides Hydrocarbon derivatives Carbonyl compounds Aromatic alcohols
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzoate ester - 2-heteroaryl carboxamide - Benzoyl - Benzyl alcohol - Thiophene carboxamide - Thiophene carboxylic acid or derivatives - N-arylamide - Tertiary carboxylic acid amide - Heteroaromatic compound - Thiophene - Vinylogous amide - Secondary carboxylic acid amide - Carboxylic acid ester - Carboxamide group - Carboxylic acid derivative - Organoheterocyclic compound - Hydrocarbon derivative - Alcohol - Primary alcohol - Organooxygen compound - Organonitrogen compound - Carbonyl group - Organic oxide - Organic nitrogen compound - Aromatic alcohol - Organic oxygen compound - 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