Structure Information
Structure

Compound Identification

SMILES

CCOP(=O)(OCC)C1=C(NC(=O)OC(C)(C)C)OC(C2=CC=CC=C2)=C(C#N)C1=S

InChIKey

InChIKey=PTAHXVFVSVLHJY-UHFFFAOYSA-N

Formula

C21H25N2O6PS

Mass

464.47

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organic acids and derivatives

Class

Organic phosphonic acids and derivatives

Subclass

Phosphonic acid diesters

Intermediate Tree Nodes

Not available

Direct Parent

Phosphonic acid diesters

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Phosphonic acid diester - Monocyclic benzene moiety - Phosphonic acid ester - Benzenoid - Carbamic acid ester - Heteroaromatic compound - Oxacycle - Organoheterocyclic compound - Nitrile - Carbonitrile - Organic oxide - Cyanide - Organic oxygen compound - Organosulfur compound - Organophosphorus compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as phosphonic acid diesters. These are organophosphorus compounds containing a diester derivative of phosphonic acid, with the general structure ROP(=O)OR' (R,R' = organyl group).

External Descriptors

Not available

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