Compound Identification
SMILES
OC(=O)C1(CSC2=NC3=CC=CC=C3N2)OC(=O)C(O)=C1SC1=NC2=CC=CC=C2N1
InChIKey
InChIKey=YPSWGUSGXNXBSE-UHFFFAOYSA-N
Formula
C20H14N4O5S2
Mass
454.48
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
Alkylarylthioethers Vinylogous thioesters Benzenoids Butenolides Dicarboxylic acids and derivatives Imidazoles Heteroaromatic compounds Enoate esters Thioenol ethers Lactones Sulfenyl compounds Oxacyclic compounds Azacyclic compounds Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzimidazole - Aryl thioether - Alkylarylthioether - 2-furanone - Dicarboxylic acid or derivatives - Vinylogous thioester - Benzenoid - Azole - Heteroaromatic compound - Dihydrofuran - Imidazole - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Carboxylic acid ester - Lactone - Thioenolether - Carboxylic acid derivative - Carboxylic acid - Oxacycle - Azacycle - Sulfenyl compound - Thioether - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Organopnictogen compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organosulfur compound - 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