Compound Identification
SMILES
COC1=C(O)C(Br)=CC(=C1)C1N(C(=O)C(O)=C1C(=O)C=CC1=CC=CC=C1)C1=NN=C(SCC2=CC=C(F)C=C2)S1
InChIKey
InChIKey=YCUQMSFNWISUGO-UHFFFAOYSA-N
Formula
C29H21BrFN3O5S2
Mass
654.53
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
Phenylpyrrolines Methoxyphenols Anisoles Methoxybenzenes O-bromophenols Phenoxy compounds Styrenes Bromobenzenes Fluorobenzenes Alkyl aryl ethers Alkylarylthioethers Aryl bromides Aryl fluorides Tertiary carboxylic acid amides Acryloyl compounds Pyrroles Thiadiazoles Enones Heteroaromatic compounds Vinylogous acids Ketones Lactams Sulfenyl compounds Enols Azacyclic compounds Organofluorides Organobromides Organonitrogen compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Cinnamic acid or derivatives - 2-phenylpyrroline - Methoxyphenol - Styrene - Phenol ether - 2-bromophenol - Phenoxy compound - 2-halophenol - Methoxybenzene - Anisole - Aryl thioether - Alkylarylthioether - Halobenzene - Fluorobenzene - Alkyl aryl ether - Bromobenzene - Phenol - Aryl bromide - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Enone - Heteroaromatic compound - Vinylogous acid - Alpha,beta-unsaturated ketone - Azole - Pyrrole - Pyrroline - Thiadiazole - Tertiary carboxylic acid amide - Acryloyl-group - Carboxamide group - Ketone - Lactam - Enol - Carboxylic acid derivative - Ether - Thioether - Azacycle - Organoheterocyclic compound - Sulfenyl compound - Organosulfur compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Organobromide - Organofluoride - Organonitrogen compound - Organooxygen compound - 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