ethyl 1-[9,10,10-tris(oxidanylidene)thioxanthen-3-yl]carbonylpiperidine-4-carboxylate

Systemtic Name: ethyl 1-[9,10,10-tris(oxidanylidene)thioxanthen-3-yl]carbonylpiperidine-4-carboxylate Openeye Name: ethyl 1-(9,10,10-trioxothioxanthene-3-carbonyl)piperidine-4-carboxylate CAS Name: 1-[oxo-(9,10,10-trioxo-3-thioxanthenyl)methyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(9,10,10-trioxothioxanthene-3-carbonyl)piperidine-4-carboxylate Traditional Name: 1-(9,10,10-triketothioxanthene-3-carbonyl)isonipecotic acid ethyl ester Formula: C22H21NO6S MolecularWeight: 427.47024

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21NO6S/c1-2-29-22(26)14-9-11-23(12-10-14)21(25)15-7-8-17-19(13-15)30(27,28)18-6-4-3-5-16(18)20(17)24/h3-8,13-14H,2,9-12H2,1H3