Compound Identification
SMILES
OC(=O)C1=CC=C(CCCC2SCC(=O)N2CCC2(O)CCCCC2)C=C1
InChIKey
InChIKey=BCZCFHAXZSPKAV-UHFFFAOYSA-N
Formula
C21H29NO4S
Mass
391.53
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Benzoic acids and derivatives
- Level 5 Benzoic acids
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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 acids
Alternative Parents
Benzoyl derivatives Cyclohexanols Thiazolidines Tertiary carboxylic acid amides Tertiary alcohols Cyclic alcohols and derivatives Lactams Monocarboxylic acids and derivatives Thiohemiaminal derivatives Dialkylthioethers Azacyclic compounds Carboxylic acids Hydrocarbon derivatives Organopnictogen compounds Carbonyl compounds Organic oxides Organonitrogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzoic acid - Benzoyl - Cyclohexanol - Cyclic alcohol - Tertiary alcohol - Tertiary carboxylic acid amide - Thiazolidine - Carboxamide group - Lactam - Carboxylic acid derivative - Carboxylic acid - Azacycle - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Dialkylthioether - Hemithioaminal - Thioether - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organopnictogen compound - Alcohol - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as benzoic acids. These are organic Compounds containing a benzene ring which bears at least one carboxyl group.
External Descriptors
Not available