ethyl 3-(2-morpholin-4-ylpropan-2-yl)-9-oxidanylidene-thioxanthene-1-carboxylate

Systemtic Name: ethyl 3-(2-morpholin-4-ylpropan-2-yl)-9-oxidanylidene-thioxanthene-1-carboxylate Openeye Name: ethyl 3-(1-methyl-1-morpholino-ethyl)-9-oxo-thioxanthene-1-carboxylate CAS Name: 3-[2-(4-morpholinyl)propan-2-yl]-9-oxo-1-thioxanthenecarboxylic acid ethyl ester IUPAC Name: ethyl 3-(2-morpholin-4-ylpropan-2-yl)-9-oxothioxanthene-1-carboxylate Traditional Name: 9-keto-3-(1-methyl-1-morpholino-ethyl)thioxanthene-1-carboxylic acid ethyl ester Formula: C23H25NO4S MolecularWeight: 411.5139

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC2=C1C(=O)C3=CC=CC=C3S2)C(C)(C)N4CCOCC4

Isomeric SMILES

CCOC(=O)C1=CC(=CC2=C1C(=O)C3=CC=CC=C3S2)C(C)(C)N4CCOCC4

InChI

InChI=1S/C23H25NO4S/c1-4-28-22(26)17-13-15(23(2,3)24-9-11-27-12-10-24)14-19-20(17)21(25)16-7-5-6-8-18(16)29-19/h5-8,13-14H,4,9-12H2,1-3H3