2-[7-(bromomethyl)-9H-thioxanthen-4-yl]-6-morpholin-4-yl-pyran-4-one

Systemtic Name: 2-[7-(bromomethyl)-9H-thioxanthen-4-yl]-6-morpholin-4-yl-pyran-4-one Openeye Name: 2-[7-(bromomethyl)-9H-thioxanthen-4-yl]-6-morpholino-pyran-4-one CAS Name: 2-[7-(bromomethyl)-9H-thioxanthen-4-yl]-6-(4-morpholinyl)-4-pyranone IUPAC Name: 2-[7-(bromomethyl)-9H-thioxanthen-4-yl]-6-morpholin-4-ylpyran-4-one Traditional Name: 2-[7-(bromomethyl)-9H-thioxanthen-4-yl]-6-morpholino-pyran-4-one Formula: C23H20BrNO3S MolecularWeight: 470.3788

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=CC(=O)C=C(O2)C3=C4C(=CC=C3)CC5=C(S4)C=CC(=C5)CBr

Isomeric SMILES

C1COCCN1C2=CC(=O)C=C(O2)C3=C4C(=CC=C3)CC5=C(S4)C=CC(=C5)CBr

InChI

InChI=1S/C23H20BrNO3S/c24-14-15-4-5-21-17(10-15)11-16-2-1-3-19(23(16)29-21)20-12-18(26)13-22(28-20)25-6-8-27-9-7-25/h1-5,10,12-13H,6-9,11,14H2