Compound Identification
SMILES
C[C@@H]1CSC(=N1)N(C(=O)\C=C\C1=CC2=C(OCCO2)C=C1)C1=CC=C(Cl)C=C1
InChIKey
InChIKey=ZGCQCQJILGWJLB-WVRVXFOWSA-N
Formula
C21H19ClN2O3S
Mass
414.9
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
Benzo-1,4-dioxanes Anilides Styrenes Alkyl aryl ethers Chlorobenzenes Para dioxins Aryl chlorides Thiazolines Isothioureas Carboxylic acids and derivatives Azacyclic compounds Oxacyclic compounds Propargyl-type 1,3-dipolar organic compounds Hydrocarbon derivatives Organic oxides Carbonyl compounds Organochlorides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cinnamic acid or derivatives - Benzo-1,4-dioxane - Benzodioxane - Anilide - Styrene - Alkyl aryl ether - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Para-dioxin - Meta-thiazoline - Isothiourea - Oxacycle - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Organic 1,3-dipolar compound - Ether - Propargyl-type 1,3-dipolar organic compound - Organic oxide - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Organic nitrogen compound - Organooxygen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Aromatic heteropolycyclic 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