(E)-but-2-enedioic acid; 1-[5-[3-[4-(4-fluorophenyl)carbonylpiperidin-1-yl]propylsulfanyl]thiophen-2-yl]ethanone

Systemtic Name: (E)-but-2-enedioic acid; 1-[5-[3-[4-(4-fluorophenyl)carbonylpiperidin-1-yl]propylsulfanyl]thiophen-2-yl]ethanone Openeye Name: 1-[5-[3-[4-(4-fluorobenzoyl)-1-piperidyl]propylsulfanyl]-2-thienyl]ethanone; fumaric acid CAS Name: (E)-2-butenedioic acid; 1-[5-[3-[4-[(4-fluorophenyl)-oxomethyl]-1-piperidinyl]propylthio]-2-thiophenyl]ethanone IUPAC Name: (E)-but-2-enedioic acid; 1-[5-[3-[4-(4-fluorobenzoyl)piperidin-1-yl]propylsulfanyl]thiophen-2-yl]ethanone Traditional Name: 1-[5-[3-[4-(4-fluorobenzoyl)piperidino]propylthio]-2-thienyl]ethanone; fumaric acid Formula: C25H28FNO6S2 MolecularWeight: 521.621323

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(S1)SCCCN2CCC(CC2)C(=O)C3=CC=C(C=C3)F.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC(=O)C1=CC=C(S1)SCCCN2CCC(CC2)C(=O)C3=CC=C(C=C3)F.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C21H24FNO2S2.C4H4O4/c1-15(24)19-7-8-20(27-19)26-14-2-11-23-12-9-17(10-13-23)21(25)16-3-5-18(22)6-4-16;5-3(6)1-2-4(7)8/h3-8,17H,2,9-14H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+