Compound Identification
SMILES
COC(=O)NC1=NC2=C(N1)C=C(C=C2)S(=O)(=O)NC(CC(C)C)C(=O)OC
InChIKey
InChIKey=XUWBIXSYHNPHLE-UHFFFAOYSA-N
Formula
C16H22N4O6S
Mass
398.43
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
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Class
Benzimidazoles
- Subclass 2-benzimidazolylcarbamic acid esters
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Class
Benzimidazoles
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Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzimidazoles
Subclass
2-benzimidazolylcarbamic acid esters
Intermediate Tree Nodes
Not available
Direct Parent
2-benzimidazolylcarbamic acid esters
Alternative Parents
Leucine and derivatives Alpha amino acid esters Fatty acid esters Organosulfonamides Benzenoids Aminosulfonyl compounds Carbamate esters Heteroaromatic compounds Imidazoles Methyl esters Organic carbonic acids and derivatives Azacyclic compounds Monocarboxylic acids and derivatives Organic oxides Carbonyl compounds Hydrocarbon derivatives Organonitrogen compounds Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
2-benzimidazolylcarbamic acid ester - Leucine or derivatives - Alpha-amino acid ester - Alpha-amino acid or derivatives - Fatty acid ester - Organosulfonic acid amide - Benzenoid - Fatty acyl - Azole - Imidazole - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Carbamic acid ester - Aminosulfonyl compound - Methyl ester - Heteroaromatic compound - Carbonic acid derivative - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Azacycle - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxide - Carbonyl group - Organopnictogen compound - Hydrocarbon derivative - Organic oxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 2-benzimidazolylcarbamic acid esters. These are aromatic heteropolycyclic compounds that contain a carbamic acid ester group, which is N-linked to the C2-atom of a benzimidazole moiety.
External Descriptors
Not available