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

Systemtic Name: (E)-but-2-enedioic acid; 1-[10-(3-morpholin-4-ylpropyl)phenothiazin-2-yl]butan-1-one Openeye Name: fumaric acid; 1-[10-(3-morpholinopropyl)phenothiazin-2-yl]butan-1-one CAS Name: (E)-2-butenedioic acid; 1-[10-[3-(4-morpholinyl)propyl]-2-phenothiazinyl]-1-butanone IUPAC Name: (E)-but-2-enedioic acid; 1-[10-(3-morpholin-4-ylpropyl)phenothiazin-2-yl]butan-1-one Traditional Name: fumaric acid; 1-[10-(3-morpholinopropyl)phenothiazin-2-yl]butan-1-one Formula: C27H32N2O6S MolecularWeight: 512.61778

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N2O2S.C4H4O4/c1-2-6-21(26)18-9-10-23-20(17-18)25(19-7-3-4-8-22(19)28-23)12-5-11-24-13-15-27-16-14-24;5-3(6)1-2-4(7)8/h3-4,7-10,17H,2,5-6,11-16H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+