Compound Identification
SMILES
CC(C)(C)OC(=O)N1CCN(CC1)C(=O)\C=C\C1=CC(=C(SC2=CC=CC=C2N2C=CC=C2)C=C1)C(F)(F)F
InChIKey
InChIKey=JZWYJSJGTQLDSW-ACCUITESSA-N
Formula
C29H30F3N3O3S
Mass
557.63
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
Diarylthioethers Phenylpyrroles Trifluoromethylbenzenes Piperazine carboxylic acids Thiophenol ethers Styrenes Tertiary carboxylic acid amides Heteroaromatic compounds Carbamate esters Sulfenyl compounds Azacyclic compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Cinnamic acid or derivatives - Diarylthioether - 1-phenylpyrrole - Trifluoromethylbenzene - Piperazine-1-carboxylic acid - Aryl thioether - Styrene - Thiophenol ether - 1,4-diazinane - Monocyclic benzene moiety - Benzenoid - Piperazine - Substituted pyrrole - Heteroaromatic compound - Carbamic acid ester - Pyrrole - Tertiary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Sulfenyl compound - Thioether - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Alkyl fluoride - Organic oxygen compound - Organosulfur compound - Alkyl halide - Organic nitrogen compound - Carbonyl group - Aromatic heteromonocyclic 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