Compound Identification
SMILES
CCOC(=O)C1=C(N=C2SC(=CC3=CC=C(O3)C3=C(Br)C=C(C)C=C3)C(=O)N2C1C1=CC=C(F)C=C1)C1=CC=CC=C1
InChIKey
InChIKey=XTFYYEJSQXCZFI-UHFFFAOYSA-N
Formula
C33H24BrFN2O4S
Mass
643.53
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
Halotoluenes Bromobenzenes Fluorobenzenes Aryl bromides Aryl fluorides Thiazoles Enoate esters Heteroaromatic compounds Furans Lactams Isothioureas Oxacyclic compounds Azacyclic compounds Monocarboxylic acids and derivatives Hydrocarbon derivatives Organic oxides Carbonyl compounds Organobromides Organofluorides Organonitrogen compounds Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cinnamic acid ester - Halotoluene - Halobenzene - Toluene - Fluorobenzene - Bromobenzene - Benzenoid - Aryl bromide - Monocyclic benzene moiety - Aryl fluoride - Aryl halide - Heteroaromatic compound - Furan - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Thiazole - Azole - Carboxylic acid ester - Lactam - Isothiourea - Oxacycle - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Organooxygen compound - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organonitrogen compound - Organofluoride - Organobromide - Organic oxide - Organohalogen 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