(E)-but-2-enedioic acid; 3-[2-oxidanyl-3-(2-thiophen-2-ylethylamino)propoxy]-2-phenyl-chromen-4-one

Systemtic Name: (E)-but-2-enedioic acid; 3-[2-oxidanyl-3-(2-thiophen-2-ylethylamino)propoxy]-2-phenyl-chromen-4-one Openeye Name: fumaric acid; 3-[2-hydroxy-3-[2-(2-thienyl)ethylamino]propoxy]-2-phenyl-chromen-4-one CAS Name: (E)-2-butenedioic acid; 3-[2-hydroxy-3-(2-thiophen-2-ylethylamino)propoxy]-2-phenyl-1-benzopyran-4-one IUPAC Name: (E)-but-2-enedioic acid; 3-[2-hydroxy-3-(2-thiophen-2-ylethylamino)propoxy]-2-phenylchromen-4-one Traditional Name: fumaric acid; 3-[2-hydroxy-3-[2-(2-thienyl)ethylamino]propoxy]-2-phenyl-chromone Formula: C28H27NO8S MolecularWeight: 537.58088

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C(=O)C3=CC=CC=C3O2)OCC(CNCCC4=CC=CS4)O.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C(=O)C3=CC=CC=C3O2)OCC(CNCCC4=CC=CS4)O.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C24H23NO4S.C4H4O4/c26-18(15-25-13-12-19-9-6-14-30-19)16-28-24-22(27)20-10-4-5-11-21(20)29-23(24)17-7-2-1-3-8-17;5-3(6)1-2-4(7)8/h1-11,14,18,25-26H,12-13,15-16H2;1-2H,(H,5,6)(H,7,8)/b;2-1+