Compound Identification
SMILES
COC(=O)C1=C(CSC2=NC3=C(N2)C=C(OC)C=C3)C(C(=O)OC)=C(N)S1
InChIKey
InChIKey=UJBORDBVKUXYNP-UHFFFAOYSA-N
Formula
C17H17N3O5S2
Mass
407.46
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
3,4,5-trisubstituted-2-aminothiophenes Thiophene carboxylic acids and derivatives Anisoles Alkylarylthioethers Alkyl aryl ethers Vinylogous amides Methyl esters Imidazoles Heteroaromatic compounds Amino acids and derivatives Sulfenyl compounds Azacyclic compounds Primary amines Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzimidazole - 3,4,5-trisubstituted-2-aminothiophene - Aryl thioether - Anisole - Phenol ether - Thiophene carboxylic acid or derivatives - Alkyl aryl ether - Alkylarylthioether - 2-aminothiophene - Benzenoid - Azole - Heteroaromatic compound - Imidazole - Vinylogous amide - Methyl ester - Thiophene - Amino acid or derivatives - Carboxylic acid ester - Sulfenyl compound - Azacycle - Ether - Carboxylic acid derivative - Thioether - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Amine - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Primary amine - 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