Compound Identification
SMILES
CCC1=CC2=C(OC(N2)=C2C=C(NC(=S)NC(=O)C=CC3=C(Cl)C=C(Cl)C=C3)C=C(C)C2=O)C=C1
InChIKey
InChIKey=UFZCILBYXCSYGE-UHFFFAOYSA-N
Formula
C26H21Cl2N3O3S
Mass
526.43
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
Benzoxazolines Styrenes Dichlorobenzenes O-quinomethanes Aryl chlorides Vinylogous esters Vinylogous amides Thioureas Ketene acetals Oxacyclic compounds Azacyclic compounds Carboxylic acids and derivatives Organonitrogen compounds Aldehydes Organopnictogen compounds Hydrocarbon derivatives Organochlorides Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cinnamic acid or derivatives - Benzoxazoline - 1,3-dichlorobenzene - O-quinomethane - Quinomethane - Styrene - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Vinylogous ester - Vinylogous amide - Thiourea - Cyclic ketone - Ketene acetal or derivatives - Ketone - Carboxylic acid derivative - Oxacycle - Azacycle - Organoheterocyclic compound - Organosulfur compound - Aldehyde - Organohalogen compound - Organochloride - Organonitrogen compound - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen 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