Compound Identification
SMILES
[O--].[Tc+5].CCC(=O)C1=C(CC2CC[C@H]1N2CCCN(CC[S-])CC([O-])=NCC[S-])C1=CC=C(F)C=C1
InChIKey
InChIKey=AZLYJOGREACGCX-IZQJFRLESA-K
Formula
C25H33FN3O3S2Tc
Mass
603.68
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
Fluorobenzenes N-alkylpyrrolidines Beta-amino ketones Aryl fluorides Trialkylamines Propargyl-type 1,3-dipolar organic compounds Organic transition metal salts Carboximidic acids Azacyclic compounds Organosulfur compounds Organofluorides Organic zwitterions Organic oxides Hydrocarbon derivatives
Molecular Framework
Not available
Substituents
Cinnamic acid or derivatives - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Beta-aminoketone - Benzenoid - N-alkylpyrrolidine - Pyrrolidine - Ketone - Tertiary amine - Tertiary aliphatic amine - Carboximidic acid - Carboximidic acid derivative - Azacycle - Organic transition metal salt - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organohalogen compound - Organic salt - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Amine - Organofluoride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Carbonyl group - Organic zwitterion - 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