(E)-but-2-enedioic acid; N-[4-(1H-indol-3-ylsulfanyl)butyl]-1-methyl-pyrrolidin-2-imine

Systemtic Name: (E)-but-2-enedioic acid; N-[4-(1H-indol-3-ylsulfanyl)butyl]-1-methyl-pyrrolidin-2-imine Openeye Name: fumaric acid; N-[4-(1H-indol-3-ylsulfanyl)butyl]-1-methyl-pyrrolidin-2-imine CAS Name: (E)-2-butenedioic acid; N-[4-(1H-indol-3-ylthio)butyl]-1-methyl-2-pyrrolidinimine IUPAC Name: (E)-but-2-enedioic acid; N-[4-(1H-indol-3-ylsulfanyl)butyl]-1-methylpyrrolidin-2-imine Traditional Name: fumaric acid; 4-(1H-indol-3-ylthio)butyl-(1-methylpyrrolidin-2-ylidene)amine Formula: C21H27N3O4S MolecularWeight: 417.52178

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCC1=NCCCCSC2=CNC3=CC=CC=C32.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN1CCCC1=NCCCCSC2=CNC3=CC=CC=C32.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C17H23N3S.C4H4O4/c1-20-11-6-9-17(20)18-10-4-5-12-21-16-13-19-15-8-3-2-7-14(15)16;5-3(6)1-2-4(7)8/h2-3,7-8,13,19H,4-6,9-12H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+