Structure Information
Structure

Compound Identification

SMILES

COC(=O)C1=C(C)OC(N)=C(C#N)C1C1=CSC=C1

InChIKey

InChIKey=YCNWWKQSLJYANG-UHFFFAOYSA-N

Formula

C13H12N2O3S

Mass

276.31

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Pyrans

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Pyrans

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Pyran - Thiophene - Methyl ester - Enoate ester - Heteroaromatic compound - Alpha,beta-unsaturated carboxylic ester - Vinylogous ester - Carboxylic acid ester - Ketene acetal or derivatives - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Carbonitrile - Nitrile - Oxacycle - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Carbonyl group - Organopnictogen compound - Cyanide - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as pyrans. These are compounds containing a pyran ring, which is a six-member heterocyclic, non-aromatic ring with five carbon atoms, one oxygen atom and two ring double bonds.

External Descriptors

Not available

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