(6Z)-8-methoxy-6-[morpholin-4-yl(sulfanyl)methylidene]-5-oxidanyl-2-phenyl-chromene-4,7-dione

Systemtic Name: (6Z)-8-methoxy-6-[morpholin-4-yl(sulfanyl)methylidene]-5-oxidanyl-2-phenyl-chromene-4,7-dione Openeye Name: (6Z)-5-hydroxy-8-methoxy-6-[morpholino(sulfanyl)methylene]-2-phenyl-chromene-4,7-dione CAS Name: (6Z)-5-hydroxy-6-[mercapto(4-morpholinyl)methylidene]-8-methoxy-2-phenyl-1-benzopyran-4,7-dione IUPAC Name: (6Z)-5-hydroxy-8-methoxy-6-[morpholin-4-yl(sulfanyl)methylidene]-2-phenylchromene-4,7-dione Traditional Name: (6Z)-5-hydroxy-6-[mercapto(morpholino)methylene]-8-methoxy-2-phenyl-chromene-4,7-quinone Formula: C21H19NO6S MolecularWeight: 413.44366

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=C(C(=C(N3CCOCC3)S)C1=O)O)C(=O)C=C(O2)C4=CC=CC=C4

Isomeric SMILES

COC1=C2C(=C(/C(=C(\N3CCOCC3)/S)/C1=O)O)C(=O)C=C(O2)C4=CC=CC=C4

InChI

InChI=1S/C21H19NO6S/c1-26-20-18(25)16(21(29)22-7-9-27-10-8-22)17(24)15-13(23)11-14(28-19(15)20)12-5-3-2-4-6-12/h2-6,11,24,29H,7-10H2,1H3/b21-16-