Structure Information
Structure

Compound Identification

SMILES

COC(=O)C1=CC=CC=C1NC=C(C#N)C1=NC(=CS1)C1=CC2=C(OC1=O)C=CC1=CC=CC=C21

InChIKey

InChIKey=BLKACYKEWKUVFY-UHFFFAOYSA-N

Formula

C27H17N3O4S

Mass

479.51

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Naphthopyrans

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Naphthopyrans

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Naphthopyran - Coumarin - Aminobenzoic acid or derivatives - Benzoate ester - Benzopyran - Naphthalene - 1-benzopyran - Benzoic acid or derivatives - Benzoyl - Aniline or substituted anilines - 2,4-disubstituted 1,3-thiazole - Pyranone - Monocyclic benzene moiety - Benzenoid - Pyran - Azole - Heteroaromatic compound - Vinylogous amide - Methyl ester - Thiazole - Amino acid or derivatives - Lactone - Carboxylic acid ester - Nitrile - Carbonitrile - Azacycle - Monocarboxylic acid or derivatives - Enamine - Oxacycle - Carboxylic acid derivative - Secondary amine - Amine - Hydrocarbon derivative - Organic oxide - Cyanide - Organopnictogen compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as naphthopyrans. These are compounds containing a pyran ring fused to a naphthalene moiety. Furan is a 6 membered-ring non-aromatic ring with five carbon and one oxygen atoms. Naphthalene is a polycyclic aromatic hydrocarbon made up of two fused benzene rings.

External Descriptors

Not available

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