(E)-but-2-enedioic acid; 1-[10-(3-morpholin-4-ylpropyl)phenothiazin-2-yl]ethanone

Systemtic Name: (E)-but-2-enedioic acid; 1-[10-(3-morpholin-4-ylpropyl)phenothiazin-2-yl]ethanone Openeye Name: fumaric acid; 1-[10-(3-morpholinopropyl)phenothiazin-2-yl]ethanone CAS Name: (E)-2-butenedioic acid; 1-[10-[3-(4-morpholinyl)propyl]-2-phenothiazinyl]ethanone IUPAC Name: (E)-but-2-enedioic acid; 1-[10-(3-morpholin-4-ylpropyl)phenothiazin-2-yl]ethanone Traditional Name: fumaric acid; 1-[10-(3-morpholinopropyl)phenothiazin-2-yl]ethanone Formula: C25H28N2O6S MolecularWeight: 484.56462

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3N2CCCN4CCOCC4.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3N2CCCN4CCOCC4.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C21H24N2O2S.C4H4O4/c1-16(24)17-7-8-21-19(15-17)23(18-5-2-3-6-20(18)26-21)10-4-9-22-11-13-25-14-12-22;5-3(6)1-2-4(7)8/h2-3,5-8,15H,4,9-14H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+