Compound Identification
SMILES
COC1=CC=C(NC(=O)COC(=O)CCCC[C@H]2CCSS2)C=C1
InChIKey
InChIKey=UIWYFUMGYQZRKW-HNNXBMFYSA-N
Formula
C17H23NO4S2
Mass
369.49
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
Anilides Methoxyanilines Phenoxy compounds N-arylamides Anisoles Methoxybenzenes Alkyl aryl ethers Fatty acid esters 1,2-dithiolanes Secondary carboxylic acid amides Organic disulfides Carboxylic acid esters Monocarboxylic acids and derivatives Carbonyl compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Lipoic_acid_derivative - Methoxyaniline - Anilide - Phenoxy compound - Anisole - Methoxybenzene - N-arylamide - Phenol ether - Alkyl aryl ether - Fatty acid ester - Monocyclic benzene moiety - Fatty acyl - Benzenoid - 1,2-dithiolane - Carboxamide group - Carboxylic acid ester - Secondary carboxylic acid amide - Organic disulfide - Ether - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Organic oxide - Organonitrogen compound - Organooxygen compound - Aromatic heteromonocyclic 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