Structure Information
Structure

Compound Identification

SMILES

CCN=C1SC(C(=O)OC)=C(N)C1=C(C)CC

InChIKey

InChIKey=GJTRSMNWTIUMGR-UHFFFAOYSA-N

Formula

C12H18N2O2S

Mass

254.35

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organosulfur compounds

Class

Imidothioesters

Subclass

Imidothiolactones

Intermediate Tree Nodes

Not available

Direct Parent

Imidothiolactones

Alternative Parents

Molecular Framework

Aliphatic heteromonocyclic compounds

Substituents

Imidothiolactone - 2,3-dihydrothiophene - Methyl ester - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Vinylogous amide - Carboxylic acid ester - Amino acid or derivatives - Organoheterocyclic compound - Carboxylic acid derivative - Enamine - Monocarboxylic acid or derivatives - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organonitrogen compound - Organic oxygen compound - Primary aliphatic amine - Hydrocarbon derivative - Organooxygen compound - Primary amine - Amine - Organic oxide - Carbonyl group - Organic nitrogen compound - Aliphatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as imidothiolactones. These are analogs of imidolactones where the oxygen atom is replaced by a sulfur atom. They have the general structure RC(=N)SR' where the central carbon atom is part of a ring. R,R' = organyl group.

External Descriptors

Not available

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