Compound Identification
SMILES
CCOC(=O)C1=C(NC(=O)CSC2=NN=C(COC3=C(Cl)C=CC(C)=C3)N2C)SC2=C1CCCCC2
InChIKey
InChIKey=BJBGSARGIQSBJY-UHFFFAOYSA-N
Formula
C25H29ClN4O4S2
Mass
549.1
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
Thiophene carboxylic acids and derivatives Phenoxy compounds Phenol ethers N-arylamides Toluenes Alkyl aryl ethers Alkylarylthioethers Chlorobenzenes Aryl chlorides Vinylogous amides Triazoles Heteroaromatic compounds Secondary carboxylic acid amides Carboxylic acid esters Sulfenyl compounds Azacyclic compounds Organochlorides Organic oxides Carbonyl compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cycloheptathiophene - Phenoxy compound - Aryl thioether - Phenol ether - Thiophene carboxylic acid or derivatives - N-arylamide - Alkyl aryl ether - Chlorobenzene - Halobenzene - Toluene - Alkylarylthioether - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Thiophene - Heteroaromatic compound - 1,2,4-triazole - Vinylogous amide - Azole - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Azacycle - Thioether - Sulfenyl compound - Carboxylic acid derivative - Ether - Organosulfur compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organohalogen compound - Carbonyl group - Organic nitrogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - 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