Compound Identification
SMILES
CCOC(=O)C1=C(NC(=O)CSCC(=O)N=C2SC3=C(C=CC(Cl)=C3)N2CCOC)SC2=C1CCCCC2
InChIKey
InChIKey=WEBXTZGIDXHDCT-UHFFFAOYSA-N
Formula
C26H30ClN3O5S3
Mass
596.17
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
Benzothiazoles Thiophene carboxylic acids and derivatives N-arylamides Aryl chlorides Benzenoids Vinylogous amides Thiazoles Heteroaromatic compounds Secondary carboxylic acid amides Carboxylic acid esters Isothioureas N-acylimines Dialkylthioethers Dialkyl ethers Azacyclic compounds Sulfenyl compounds Carbonyl compounds Organic oxides Hydrocarbon derivatives Organochlorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cycloheptathiophene - 1,3-benzothiazole - N-arylamide - Thiophene carboxylic acid or derivatives - Aryl chloride - Aryl halide - Benzenoid - Azole - Heteroaromatic compound - Vinylogous amide - Thiazole - Thiophene - Carboxamide group - Carboxylic acid ester - Isothiourea - Secondary carboxylic acid amide - N-acylimine - Sulfenyl compound - Thioether - Dialkylthioether - Carboxylic acid derivative - Azacycle - Dialkyl ether - Ether - Hydrocarbon derivative - Organic oxygen compound - Organohalogen compound - Organic nitrogen compound - Organochloride - Carbonyl group - Organic oxide - Organonitrogen compound - Organooxygen compound - Organosulfur 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