(E)-but-2-enedioic acid; 7-[2-oxidanyl-3-(2-thiophen-2-ylethylamino)propoxy]-2-phenyl-chromen-4-one

Systemtic Name: (E)-but-2-enedioic acid; 7-[2-oxidanyl-3-(2-thiophen-2-ylethylamino)propoxy]-2-phenyl-chromen-4-one Openeye Name: fumaric acid; 7-[2-hydroxy-3-[2-(2-thienyl)ethylamino]propoxy]-2-phenyl-chromen-4-one CAS Name: (E)-2-butenedioic acid; 7-[2-hydroxy-3-(2-thiophen-2-ylethylamino)propoxy]-2-phenyl-1-benzopyran-4-one IUPAC Name: (E)-but-2-enedioic acid; 7-[2-hydroxy-3-(2-thiophen-2-ylethylamino)propoxy]-2-phenylchromen-4-one Traditional Name: fumaric acid; 7-[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=CC(=O)C3=C(O2)C=C(C=C3)OCC(CNCCC4=CC=CS4)O.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C=C(C=C3)OCC(CNCCC4=CC=CS4)O.C(=C/C(=O)O)\C(=O)O

InChI

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