(E)-but-2-enedioic acid; [2-[7-(dimethylamino)heptylsulfanyl]pyridin-3-yl]-thiophen-2-yl-methanone

Systemtic Name: (E)-but-2-enedioic acid; [2-[7-(dimethylamino)heptylsulfanyl]pyridin-3-yl]-thiophen-2-yl-methanone Openeye Name: [2-[7-(dimethylamino)heptylsulfanyl]-3-pyridyl]-(2-thienyl)methanone; fumaric acid CAS Name: (E)-2-butenedioic acid; [2-[7-(dimethylamino)heptylthio]-3-pyridinyl]-thiophen-2-ylmethanone IUPAC Name: (E)-but-2-enedioic acid; [2-[7-(dimethylamino)heptylsulfanyl]pyridin-3-yl]-thiophen-2-ylmethanone Traditional Name: [2-[7-(dimethylamino)heptylthio]-3-pyridyl]-(2-thienyl)methanone; fumaric acid Formula: C23H30N2O5S2 MolecularWeight: 478.6247

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCCCCCSC1=C(C=CC=N1)C(=O)C2=CC=CS2.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN(C)CCCCCCCSC1=C(C=CC=N1)C(=O)C2=CC=CS2.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C19H26N2OS2.C4H4O4/c1-21(2)13-6-4-3-5-7-14-24-19-16(10-8-12-20-19)18(22)17-11-9-15-23-17;5-3(6)1-2-4(7)8/h8-12,15H,3-7,13-14H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+