ethyl 4-[2-[9,10,10-tris(oxidanylidene)thioxanthen-3-yl]carbonyloxyethanoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-[9,10,10-tris(oxidanylidene)thioxanthen-3-yl]carbonyloxyethanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-(9,10,10-trioxothioxanthene-3-carbonyl)oxyacetyl]piperazine-1-carboxylate CAS Name: 4-[1-oxo-2-[oxo-(9,10,10-trioxo-3-thioxanthenyl)methoxy]ethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(9,10,10-trioxothioxanthene-3-carbonyl)oxyacetyl]piperazine-1-carboxylate Traditional Name: 4-[2-(9,10,10-triketothioxanthene-3-carbonyl)oxyacetyl]piperazine-1-carboxylic acid ethyl ester Formula: C23H22N2O8S MolecularWeight: 486.49438

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)COC(=O)C2=CC3=C(C=C2)C(=O)C4=CC=CC=C4S3(=O)=O

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)COC(=O)C2=CC3=C(C=C2)C(=O)C4=CC=CC=C4S3(=O)=O

InChI

InChI=1S/C23H22N2O8S/c1-2-32-23(29)25-11-9-24(10-12-25)20(26)14-33-22(28)15-7-8-17-19(13-15)34(30,31)18-6-4-3-5-16(18)21(17)27/h3-8,13H,2,9-12,14H2,1H3