Compound Identification
SMILES
ONC(=O)[C@H]1CCN1C(=O)C1=CC(SC(F)(F)F)=C(OCC=C)C=C1
InChIKey
InChIKey=LRIPCOMTTKLFMI-SNVBAGLBSA-N
Formula
C15H15F3N2O4S
Mass
376.35
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzoic acids and derivatives
Intermediate Tree Nodes
Sulfanylbenzoic acids and derivatives
Direct Parent
M-sulfanylbenzoic acids and derivatives
Alternative Parents
Alpha amino acids and derivatives Benzamides Thiophenol ethers Phenoxy compounds Phenol ethers Benzoyl derivatives Alkyl aryl ethers Alkylarylthioethers Tertiary carboxylic acid amides Trihalomethanes Azetidines Hydroxamic acids Azacyclic compounds Sulfenyl compounds Organic oxides Organofluorides Alkyl fluorides Organonitrogen compounds Carbonyl compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
M-sulfanylbenzoic acid or derivatives - Alpha-amino acid or derivatives - Benzamide - Phenoxy compound - Aryl thioether - Phenol ether - Thiophenol ether - Benzoyl - Alkyl aryl ether - Alkylarylthioether - Tertiary carboxylic acid amide - Hydroxamic acid - Trihalomethane - Azetidine - Carboxamide group - Sulfenyl compound - Thioether - Carboxylic acid derivative - Ether - Organoheterocyclic compound - Azacycle - Organic nitrogen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Carbonyl group - Hydrocarbon derivative - Halomethane - Organic oxide - Organic oxygen compound - Alkyl halide - Alkyl fluoride - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as m-sulfanylbenzoic acids and derivatives. These are benzoic acids (or derivatives) which bear a sulfanyl group (R-SH) attached to the benzene ring at positions 1 and 3, respectively.
External Descriptors
Not available