5-(3-methylsulfonyloxyprop-1-ynyl)-8-(phenylcarbonyloxy)-1,6-naphthyridine-7-carboxylic acid

Systemtic Name: 5-(3-methylsulfonyloxyprop-1-ynyl)-8-(phenylcarbonyloxy)-1,6-naphthyridine-7-carboxylic acid Openeye Name: 8-benzoyloxy-5-(3-methylsulfonyloxyprop-1-ynyl)-1,6-naphthyridine-7-carboxylic acid CAS Name: 8-benzoyloxy-5-(3-methylsulfonyloxyprop-1-ynyl)-1,6-naphthyridine-7-carboxylic acid IUPAC Name: 8-benzoyloxy-5-(3-methylsulfonyloxyprop-1-ynyl)-1,6-naphthyridine-7-carboxylic acid Traditional Name: 8-benzoyloxy-5-(3-methylsulfonyloxyprop-1-ynyl)-1,6-naphthyridine-7-carboxylic acid Formula: C20H14N2O7S MolecularWeight: 426.39936

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OCC#CC1=C2C=CC=NC2=C(C(=N1)C(=O)O)OC(=O)C3=CC=CC=C3

Isomeric SMILES

CS(=O)(=O)OCC#CC1=C2C=CC=NC2=C(C(=N1)C(=O)O)OC(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H14N2O7S/c1-30(26,27)28-12-6-10-15-14-9-5-11-21-16(14)18(17(22-15)19(23)24)29-20(25)13-7-3-2-4-8-13/h2-5,7-9,11H,12H2,1H3,(H,23,24)