Structure Information
Structure

Compound Identification

SMILES

COC(=O)C1=CC(=CC(NC=C(C#N)C2=NC(=CS2)C2=CC3=C(OC2=O)C=CC2=CC=CC=C32)=C1)C(=O)OC

InChIKey

InChIKey=PMTYEEYNOARMKY-UHFFFAOYSA-N

Formula

C29H19N3O6S

Mass

537.55

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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 - Phthalate ester - Meta-phthalic acid ester - Meta_phthalic_acid - 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 - Pyran - Benzenoid - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Methyl ester - Thiazole - Heteroaromatic compound - Azole - Carboxylic acid ester - Amino acid or derivatives - Lactone - Oxacycle - Enamine - Carbonitrile - Nitrile - Secondary amine - Carboxylic acid derivative - Azacycle - Amine - Cyanide - Organopnictogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Organonitrogen compound - Organooxygen 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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