(2-oxidanylidene-2-piperidin-1-yl-ethyl) 9,10,10-tris(oxidanylidene)thioxanthene-3-carboxylate

Systemtic Name: (2-oxidanylidene-2-piperidin-1-yl-ethyl) 9,10,10-tris(oxidanylidene)thioxanthene-3-carboxylate Openeye Name: [2-oxo-2-(1-piperidyl)ethyl] 9,10,10-trioxothioxanthene-3-carboxylate CAS Name: 9,10,10-trioxo-3-thioxanthenecarboxylic acid [2-oxo-2-(1-piperidinyl)ethyl] ester IUPAC Name: (2-oxo-2-piperidin-1-ylethyl) 9,10,10-trioxothioxanthene-3-carboxylate Traditional Name: 9,10,10-triketothioxanthene-3-carboxylic acid (2-keto-2-piperidino-ethyl) ester Formula: C21H19NO6S MolecularWeight: 413.44366

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)COC(=O)C2=CC3=C(C=C2)C(=O)C4=CC=CC=C4S3(=O)=O

Isomeric SMILES

C1CCN(CC1)C(=O)COC(=O)C2=CC3=C(C=C2)C(=O)C4=CC=CC=C4S3(=O)=O

InChI

InChI=1S/C21H19NO6S/c23-19(22-10-4-1-5-11-22)13-28-21(25)14-8-9-16-18(12-14)29(26,27)17-7-3-2-6-15(17)20(16)24/h2-3,6-9,12H,1,4-5,10-11,13H2