Compound Identification
SMILES
COC1=CC=C(C=CC(=O)SC2=CC=C(Cl)C=C2)C=C1
InChIKey
InChIKey=BTYZNFWTMNUOFC-UHFFFAOYSA-N
Formula
C16H13ClO2S
Mass
304.79
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Cinnamic acids and derivatives
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Cinnamic acids and derivatives
Alternative Parents
Thiophenol esters Styrenes Phenoxy compounds Anisoles Methoxybenzenes Aryl thioethers Alkyl aryl ethers Chlorobenzenes Aryl chlorides Thioesters Carbothioic S-esters Sulfenyl compounds Carboxylic acids and derivatives Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Cinnamic acid or derivatives - Thiophenol ester - Phenoxy compound - Aryl thioether - Anisole - Methoxybenzene - Phenol ether - Styrene - Alkyl aryl ether - Halobenzene - Chlorobenzene - Aryl chloride - Benzenoid - Monocyclic benzene moiety - Aryl halide - Thiocarboxylic acid ester - Carbothioic s-ester - Sulfenyl compound - Thiocarboxylic acid or derivatives - Carboxylic acid derivative - Ether - Organosulfur compound - Carbonyl group - Organic oxide - Organic oxygen compound - Organooxygen compound - Hydrocarbon derivative - Organochloride - Organohalogen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as cinnamic acids and derivatives. These are organic aromatic compounds containing a benzene and a carboxylic acid group (or a derivative thereof) forming 3-phenylprop-2-enoic acid.
External Descriptors
Not available