Structure Information
Structure

Compound Identification

SMILES

O=C(\C(=C/NC1=CC2=C(COC2=O)C=C1)C#N)C1=CC=CS1

InChIKey

InChIKey=CMQRQIDDHVWUDX-FLIBITNWSA-N

Formula

C16H10N2O3S

Mass

310.33

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Isocoumarans

Subclass

Isobenzofuranones

Intermediate Tree Nodes

Not available

Direct Parent

Phthalides

Alternative Parents

Aryl ketones Alpha-branched alpha,beta-unsaturated ketones Benzenoids Acryloyl compounds Vinylogous amides Thiophenes Enones Heteroaromatic compounds Carboxylic acid esters Lactones Allylamines Enamines Oxacyclic compounds Nitriles Hydrocarbon derivatives Organic oxides

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Phthalide - Aryl ketone - Benzenoid - Alpha-branched alpha,beta-unsaturated-ketone - Acryloyl-group - Enone - Thiophene - Alpha,beta-unsaturated ketone - Vinylogous amide - Heteroaromatic compound - Carboxylic acid ester - Ketone - Lactone - Allylamine - Enamine - Oxacycle - Carboxylic acid derivative - Carbonitrile - Nitrile - Organic oxygen compound - Cyanide - Amine - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as phthalides. These are compounds containing a 3-hydrocarbylidene-2-benzofuran-1(3H)-one moiety,.

External Descriptors

Not available

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