Structure Information
Structure

Compound Identification

SMILES

OC(C(=O)NC1[C@@H]2SCC(Cl)=C(N2C1=O)C(=O)OCC1=CC=C(C=C1)[N+]([O-])=O)C1=CC=CC=C1

InChIKey

InChIKey=VTCOSULCVNJQPR-IAYYMHMVSA-N

Formula

C22H18ClN3O7S

Mass

503.91

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Lactams

Subclass

Beta lactams

Intermediate Tree Nodes

Cephems

Direct Parent

Cephalosporins

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Cephalosporin - N-acyl-alpha amino acid or derivatives - Phenylacetamide - Benzyloxycarbonyl - Alpha-amino acid or derivatives - Nitrobenzene - Nitroaromatic compound - Meta-thiazine - Benzenoid - Monocyclic benzene moiety - Tertiary carboxylic acid amide - Vinylogous halide - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Organic nitro compound - Carboxamide group - Carboxylic acid ester - C-nitro compound - Secondary alcohol - Azetidine - Secondary carboxylic acid amide - Azacycle - Chloroalkene - Carboxylic acid derivative - Haloalkene - Monocarboxylic acid or derivatives - Dialkylthioether - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Thioether - Hemithioaminal - Vinyl chloride - Vinyl halide - Organic nitrogen compound - Carbonyl group - Organohalogen compound - Alcohol - Organochloride - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organic zwitterion - Aromatic alcohol - Organic salt - Organic oxide - Hydrocarbon derivative - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as cephalosporins. These are compounds containing a 1,2-thiazine fused to a 2-azetidinone to for a oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid moiety or a derivative thereof.

External Descriptors

Not available

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