Compound Identification
SMILES
CCOC(=O)C1=C(N=C2S\C(=C\C3=CC(OC)=C(OCC4=CC=CC=C4C#N)C=C3Br)C(=O)N2[C@@H]1C1=C(OC)C=CC2=CC=CC=C12)C1=CC=CC=C1
InChIKey
InChIKey=DBTRHCZLBQNKOC-NNLKDUFCSA-N
Formula
C42H32BrN3O6S
Mass
786.7
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Cinnamic acids and derivatives
- Subclass Cinnamic acid esters
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Class
Cinnamic acids and derivatives
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Cinnamic acids and derivatives
Subclass
Cinnamic acid esters
Intermediate Tree Nodes
Not available
Direct Parent
Cinnamic acid esters
Alternative Parents
Naphthalenes Phenoxy compounds Anisoles Benzonitriles Methoxybenzenes Alkyl aryl ethers Bromobenzenes Aryl bromides Thiazoles Enoate esters Heteroaromatic compounds Lactams Isothioureas Monocarboxylic acids and derivatives Azacyclic compounds Nitriles Carbonyl compounds Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cinnamic acid ester - Naphthalene - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Benzonitrile - Alkyl aryl ether - Halobenzene - Bromobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Thiazole - Heteroaromatic compound - Azole - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Carboxylic acid ester - Isothiourea - Lactam - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Ether - Nitrile - Monocarboxylic acid or derivatives - Carbonitrile - Carbonyl group - Organooxygen compound - Organic oxygen compound - Organonitrogen compound - Cyanide - Organobromide - Organohalogen compound - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as cinnamic acid esters. These are compound containing an ester derivative of cinnamic acid.
External Descriptors
Not available