Compound Identification
SMILES
CCOC(=O)C1=C(NC(=O)C2=NN3C(N=C(C=C3C(F)(F)F)C3=CC=CS3)=C2Br)SC2=C1CCCCC2
InChIKey
InChIKey=OMMMMSVJZJITLP-UHFFFAOYSA-N
Formula
C24H20BrF3N4O3S2
Mass
613.47
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Cycloheptathiophenes
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Cycloheptathiophenes
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Cycloheptathiophenes
Alternative Parents
Pyrazolo[1,5-a]pyrimidines Thiophene carboxylic acids and derivatives 2-heteroaryl carboxamides Pyrazole-5-carboxamides Pyrimidines and pyrimidine derivatives Aryl bromides Vinylogous halides Vinylogous amides Heteroaromatic compounds Secondary carboxylic acid amides Carboxylic acid esters Azacyclic compounds Organic oxides Hydrocarbon derivatives Organonitrogen compounds Alkyl fluorides Organooxygen compounds Organobromides Organofluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cycloheptathiophene - Pyrazolo[1,5-a]pyrimidine - Pyrazolopyrimidine - 2-heteroaryl carboxamide - Pyrazole-5-carboxamide - Thiophene carboxylic acid or derivatives - Aryl bromide - Aryl halide - Pyrimidine - Azole - Pyrazole - Heteroaromatic compound - Thiophene - Vinylogous halide - Vinylogous amide - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Carboxylic acid derivative - Azacycle - Organonitrogen compound - Organofluoride - Organobromide - Organohalogen compound - Organic oxide - Organic nitrogen compound - Organic oxygen compound - Alkyl fluoride - Organooxygen compound - Alkyl halide - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as cycloheptathiophenes. These are polycyclic compounds containing a thiophene ring fused to a 7 member carbocyclic moiety. Thiophene is 5-membered ring consisting of four carbon atoms and one sulfur atom.
External Descriptors
Not available