Compound Identification
SMILES
COC(=O)C1=C(NC(=O)CSC2=NN=C(O2)C2=CC=CC=C2Cl)SC2=C1CCCCC2
InChIKey
InChIKey=XZPKBXBEIYLSCP-UHFFFAOYSA-N
Formula
C21H20ClN3O4S2
Mass
477.98
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 N-arylamides Alkylarylthioethers Chlorobenzenes Aryl chlorides Vinylogous amides 1,3,4-oxadiazoles Methyl esters Heteroaromatic compounds Secondary carboxylic acid amides Sulfenyl compounds Oxacyclic compounds Monocarboxylic acids and derivatives Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cycloheptathiophene - Aryl thioether - Thiophene carboxylic acid or derivatives - N-arylamide - Chlorobenzene - Halobenzene - Alkylarylthioether - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - 1,3,4-oxadiazole - Azole - Heteroaromatic compound - Oxadiazole - Thiophene - Methyl ester - Vinylogous amide - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Azacycle - Sulfenyl compound - Oxacycle - Thioether - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Organopnictogen 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