Compound Identification
SMILES
CCOC(=O)C1=C(NC(=O)COC2=C(Br)C=C(C=C2)C(C)C)SC2=C1CCC(C)C2
InChIKey
InChIKey=IVRGNCXQEAUJDJ-UHFFFAOYSA-N
Formula
C23H28BrNO4S
Mass
494.44
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Cumenes
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Cumenes
Intermediate Tree Nodes
Not available
Direct Parent
Cumenes
Alternative Parents
Phenylpropanes Thiophene carboxylic acids and derivatives Phenoxy compounds Phenol ethers N-arylamides Alkyl aryl ethers Bromobenzenes Aryl bromides Vinylogous amides Heteroaromatic compounds Secondary carboxylic acid amides Carboxylic acid esters Carbonyl compounds Organic oxides Organobromides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cumene - Phenylpropane - Phenol ether - Phenoxy compound - Thiophene carboxylic acid or derivatives - N-arylamide - Halobenzene - Alkyl aryl ether - Bromobenzene - Aryl halide - Aryl bromide - Vinylogous amide - Thiophene - Heteroaromatic compound - Carboxamide group - Carboxylic acid ester - Secondary carboxylic acid amide - Organoheterocyclic compound - Carboxylic acid derivative - Ether - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organobromide - Organohalogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as cumenes. These are aromatic compounds containing a prop-2-ylbenzene moiety.
External Descriptors
Not available