Compound Identification
SMILES
CN1C=CC2=C1C=CC(=C2)C1=CC(SC2=C(Cl)C(Cl)=C(\C=C\C(=O)N3C[C@@H]4C[C@H]3CN4C(=O)OC(C)(C)C)C(=C2)C2=CC3=C(C=C2)N(C)C=C3)=C(Cl)C(Cl)=C1\C=C\C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)OC(C)(C)C
InChIKey
InChIKey=AYLIIZOVMMFEJV-RGYZSBFTSA-N
Formula
C56H56Cl4N6O6S
Mass
1082.96
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 N-alkylindoles Indoles Piperazine carboxylic acids Pyrrolidine carboxylic acids Styrenes Thiophenol ethers Dichlorobenzenes N-acylpyrrolidines Aryl chlorides N-methylpyrroles Heteroaromatic compounds Carbamate esters Tertiary carboxylic acid amides Sulfenyl compounds Azacyclic compounds Organic oxides Hydrocarbon derivatives Organochlorides Organonitrogen compounds Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cinnamic acid or derivatives - Diarylthioether - N-alkylindole - Indole - Indole or derivatives - Piperazine-1-carboxylic acid - Aryl thioether - 1,2-dichlorobenzene - N-acylpyrrolidine - Pyrrolidine carboxylic acid - Thiophenol ether - Pyrrolidine carboxylic acid or derivatives - Styrene - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - 1,4-diazinane - N-methylpyrrole - Benzenoid - Piperazine - Substituted pyrrole - Tertiary carboxylic acid amide - Pyrrolidine - Carbamic acid ester - Pyrrole - Heteroaromatic compound - Carboxamide group - Thioether - Sulfenyl compound - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Organosulfur compound - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Carbonyl group - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen 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