Compound Identification
SMILES
COC(=O)C1=C(C)NC(=S)N(C1C1=CC=C(C=C1)C(C)C)C(=O)C(C)=CC1=CC(Br)=C(OCC2=CC=CC=C2F)C=C1
InChIKey
InChIKey=SOLCJVQHELHFNX-UHFFFAOYSA-N
Formula
C33H32BrFN2O4S
Mass
651.59
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
Aromatic monoterpenoids Monocyclic monoterpenoids Phenylpropanes Cumenes Hydropyrimidine carboxylic acids and derivatives Phenoxy compounds Phenol ethers 2-Thiopyrimidines Alkyl aryl ethers Pyrimidinethiones Bromobenzenes Fluorobenzenes Aryl bromides Aryl fluorides Vinylogous amides Enoate esters Methyl esters Thioureas Monocarboxylic acids and derivatives Azacyclic compounds Carbonyl compounds Organic oxides Organobromides Organofluorides Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Cinnamic acid or derivatives - Monoterpenoid - Monocyclic monoterpenoid - P-cymene - Aromatic monoterpenoid - Hydropyrimidine carboxylic acid derivative - Phenylpropane - Cumene - Phenoxy compound - Phenol ether - Bromobenzene - Fluorobenzene - Pyrimidinethione - Thiopyrimidine - 2-thiopyrimidine - Halobenzene - Alkyl aryl ether - Benzenoid - Aryl fluoride - Aryl bromide - Pyrimidine - Hydropyrimidine - 1,2,3,4-tetrahydropyrimidine - Monocyclic benzene moiety - Aryl halide - Vinylogous amide - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Methyl ester - Thiourea - Carboxylic acid ester - Monocarboxylic acid or derivatives - Azacycle - Organoheterocyclic compound - Ether - Carboxylic acid derivative - Organohalogen compound - Organic oxygen compound - Organic oxide - Carbonyl group - Organic nitrogen compound - Organosulfur compound - Organooxygen compound - Hydrocarbon derivative - Organofluoride - Organonitrogen compound - Organobromide - 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