Compound Identification
SMILES
COC(=O)C1=C(OCC2=CC=CC=C2)C=C(S1)N1C=NC2=C1C=C(C=C2)S(C)(=O)=O
InChIKey
InChIKey=PUPSILADTZOXCA-UHFFFAOYSA-N
Formula
C21H18N2O5S2
Mass
442.5
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Benzimidazoles
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzimidazoles
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Benzimidazoles
Alternative Parents
Thiophene carboxylic acids and derivatives 2,3,5-trisubstituted thiophenes Alkyl aryl ethers N-substituted imidazoles Benzene and substituted derivatives Sulfones Methyl esters Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzimidazole - Thiophene carboxylic acid or derivatives - 2,3,5-trisubstituted thiophene - Alkyl aryl ether - Monocyclic benzene moiety - N-substituted imidazole - Benzenoid - Azole - Imidazole - Sulfone - Sulfonyl - Heteroaromatic compound - Thiophene - Methyl ester - Carboxylic acid ester - Ether - Carboxylic acid derivative - Azacycle - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organosulfur compound - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzimidazoles. These are organic compounds containing a benzene ring fused to an imidazole ring (five member ring containing a nitrogen atom, 4 carbon atoms, and two double bonds).
External Descriptors
Not available