Compound Identification
SMILES
CCOC(=O)C1=C(C)NC(C(=O)C(C)OC(=O)C2=C(Cl)C=CC(SC)=C2)=C1C
InChIKey
InChIKey=XCCVOJFEZFAZIF-UHFFFAOYSA-N
Formula
C20H22ClNO5S
Mass
423.91
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 Pyrrole carboxylic acids and derivatives Benzoyl derivatives Alkylarylthioethers Chlorobenzenes Aryl chlorides Substituted pyrroles Heteroaromatic compounds Vinylogous amides Vinylogous halides Carboxylic acid esters Azacyclic compounds Sulfenyl compounds Organochlorides Organonitrogen compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzoate ester - M-sulfanylbenzoic acid or derivatives - Halobenzoic acid or derivatives - 2-halobenzoic acid or derivatives - Aryl thioether - Benzoyl - Pyrrole-3-carboxylic acid or derivatives - Aryl alkyl ketone - Aryl ketone - Thiophenol ether - Chlorobenzene - Halobenzene - Alkylarylthioether - Aryl chloride - Aryl halide - Substituted pyrrole - Heteroaromatic compound - Vinylogous amide - Pyrrole - Vinylogous halide - Carboxylic acid ester - Ketone - Sulfenyl compound - Thioether - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Organosulfur compound - 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