[2-oxidanylidene-2-(2-oxidanylidenepyrrolidin-1-yl)ethyl] 9,10,10-tris(oxidanylidene)thioxanthene-3-carboxylate

Systemtic Name: [2-oxidanylidene-2-(2-oxidanylidenepyrrolidin-1-yl)ethyl] 9,10,10-tris(oxidanylidene)thioxanthene-3-carboxylate Openeye Name: [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 9,10,10-trioxothioxanthene-3-carboxylate CAS Name: 9,10,10-trioxo-3-thioxanthenecarboxylic acid [2-oxo-2-(2-oxo-1-pyrrolidinyl)ethyl] ester IUPAC Name: [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 9,10,10-trioxothioxanthene-3-carboxylate Traditional Name: 9,10,10-triketothioxanthene-3-carboxylic acid [2-keto-2-(2-ketopyrrolidino)ethyl] ester Formula: C20H15NO7S MolecularWeight: 413.4006

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1)C(=O)COC(=O)C2=CC3=C(C=C2)C(=O)C4=CC=CC=C4S3(=O)=O

Isomeric SMILES

C1CC(=O)N(C1)C(=O)COC(=O)C2=CC3=C(C=C2)C(=O)C4=CC=CC=C4S3(=O)=O

InChI

InChI=1S/C20H15NO7S/c22-17-6-3-9-21(17)18(23)11-28-20(25)12-7-8-14-16(10-12)29(26,27)15-5-2-1-4-13(15)19(14)24/h1-2,4-5,7-8,10H,3,6,9,11H2