Compound Identification
SMILES
COC(=O)NC1=NC2=C(N1)C=C(OS(=O)(=O)C1=CC=C(NCC(O)=O)C=C1)C=C2
InChIKey
InChIKey=QLDUQLYWKYWAKX-UHFFFAOYSA-N
Formula
C17H16N4O7S
Mass
420.4
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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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
Benzenesulfonate esters Alpha amino acids Arylsulfonic acids and derivatives Benzenesulfonyl compounds Phenylalkylamines Aniline and substituted anilines Secondary alkylarylamines Organosulfonic acid esters Sulfonyls Imidazoles Heteroaromatic compounds Carbamate esters Amino acids Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
2-benzimidazolylcarbamic acid ester - Benzenesulfonate ester - Alpha-amino acid - Alpha-amino acid or derivatives - Benzenesulfonate - Benzenesulfonyl group - Arylsulfonic acid or derivatives - Aniline or substituted anilines - Phenylalkylamine - Secondary aliphatic/aromatic amine - Benzenoid - Organosulfonic acid ester - Monocyclic benzene moiety - Azole - Imidazole - Carbamic acid ester - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Heteroaromatic compound - Amino acid or derivatives - Amino acid - Azacycle - Secondary amine - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Amine - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organosulfur compound - Organonitrogen compound - Organooxygen 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