[2-oxidanylidene-2-[(4-piperidin-1-ylphenyl)amino]ethyl] 9,10,10-tris(oxidanylidene)thioxanthene-3-carboxylate

Systemtic Name: [2-oxidanylidene-2-[(4-piperidin-1-ylphenyl)amino]ethyl] 9,10,10-tris(oxidanylidene)thioxanthene-3-carboxylate Openeye Name: [2-oxo-2-[4-(1-piperidyl)anilino]ethyl] 9,10,10-trioxothioxanthene-3-carboxylate CAS Name: 9,10,10-trioxo-3-thioxanthenecarboxylic acid [2-oxo-2-[4-(1-piperidinyl)anilino]ethyl] ester IUPAC Name: [2-oxo-2-(4-piperidin-1-ylanilino)ethyl] 9,10,10-trioxothioxanthene-3-carboxylate Traditional Name: 9,10,10-triketothioxanthene-3-carboxylic acid [2-keto-2-(4-piperidinoanilino)ethyl] ester Formula: C27H24N2O6S MolecularWeight: 504.55426

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=CC=C(C=C2)NC(=O)COC(=O)C3=CC4=C(C=C3)C(=O)C5=CC=CC=C5S4(=O)=O

Isomeric SMILES

C1CCN(CC1)C2=CC=C(C=C2)NC(=O)COC(=O)C3=CC4=C(C=C3)C(=O)C5=CC=CC=C5S4(=O)=O

InChI

InChI=1S/C27H24N2O6S/c30-25(28-19-9-11-20(12-10-19)29-14-4-1-5-15-29)17-35-27(32)18-8-13-22-24(16-18)36(33,34)23-7-3-2-6-21(23)26(22)31/h2-3,6-13,16H,1,4-5,14-15,17H2,(H,28,30)