Compound Identification
SMILES
O=C(COC(=O)CCCC[C@@H]1CCSS1)NC1=CC2=C(OCO2)C=C1
InChIKey
InChIKey=FNRSOPFOJSQJFA-CYBMUJFWSA-N
Formula
C17H21NO5S2
Mass
383.48
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Dithiolanes
- Subclass Lipoic acids and derivatives
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Class
Dithiolanes
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Dithiolanes
Subclass
Lipoic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Lipoic acids and derivatives
Alternative Parents
Benzodioxoles N-arylamides Fatty acid esters Benzenoids 1,2-dithiolanes Secondary carboxylic acid amides Organic disulfides Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Acetals Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Lipoic_acid_derivative - Benzodioxole - N-arylamide - Fatty acid ester - Fatty acyl - Benzenoid - 1,2-dithiolane - Carboxamide group - Carboxylic acid ester - Organic disulfide - Secondary carboxylic acid amide - Acetal - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Oxacycle - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as lipoic acids and derivatives. These are compounds containing a lipoic acid moiety (or a derivative thereof), which consists of a pentanoic acid (or derivative) attached to the C3 carbon atom of a 1,2-dithiolane ring.
External Descriptors
Not available