Compound Identification
SMILES
CSC1=CC(C(=O)OCC(=O)C2=C(C)N(CCC3=CC=C(F)C=C3)C(C)=C2)=C(Cl)C=C1
InChIKey
InChIKey=DWNLTSLJVOIHRM-UHFFFAOYSA-N
Formula
C24H23ClFNO3S
Mass
459.96
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
2-halobenzoic acids and derivatives Benzoic acid esters Thiophenol ethers Aryl alkyl ketones Benzoyl derivatives Alkylarylthioethers Fluorobenzenes Chlorobenzenes Substituted pyrroles Aryl chlorides Aryl fluorides Vinylogous halides Vinylogous amides Heteroaromatic compounds Carboxylic acid esters Sulfenyl compounds Azacyclic compounds Organic oxides Organochlorides Organofluorides Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzoate ester - M-sulfanylbenzoic acid or derivatives - 2-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Aryl thioether - Benzoyl - Thiophenol ether - Aryl ketone - Aryl alkyl ketone - Chlorobenzene - Fluorobenzene - Halobenzene - Alkylarylthioether - Aryl halide - Substituted pyrrole - Aryl chloride - Aryl fluoride - Vinylogous halide - Heteroaromatic compound - Vinylogous amide - Pyrrole - Carboxylic acid ester - Ketone - Sulfenyl compound - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Thioether - Organooxygen compound - Organosulfur compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organonitrogen compound - Organic oxide - Organohalogen compound - Organochloride - Organofluoride - 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