(E)-but-2-enedioic acid; N-[2-(1H-indol-3-ylsulfanyl)ethyl]-1-phenyl-pyrrolidin-2-imine

Systemtic Name: (E)-but-2-enedioic acid; N-[2-(1H-indol-3-ylsulfanyl)ethyl]-1-phenyl-pyrrolidin-2-imine Openeye Name: fumaric acid; N-[2-(1H-indol-3-ylsulfanyl)ethyl]-1-phenyl-pyrrolidin-2-imine CAS Name: (E)-2-butenedioic acid; N-[2-(1H-indol-3-ylthio)ethyl]-1-phenyl-2-pyrrolidinimine IUPAC Name: (E)-but-2-enedioic acid; N-[2-(1H-indol-3-ylsulfanyl)ethyl]-1-phenylpyrrolidin-2-imine Traditional Name: fumaric acid; 2-(1H-indol-3-ylthio)ethyl-(1-phenylpyrrolidin-2-ylidene)amine Formula: C24H25N3O4S MolecularWeight: 451.538

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=NCCSC2=CNC3=CC=CC=C32)N(C1)C4=CC=CC=C4.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1CC(=NCCSC2=CNC3=CC=CC=C32)N(C1)C4=CC=CC=C4.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C20H21N3S.C4H4O4/c1-2-7-16(8-3-1)23-13-6-11-20(23)21-12-14-24-19-15-22-18-10-5-4-9-17(18)19;5-3(6)1-2-4(7)8/h1-5,7-10,15,22H,6,11-14H2;1-2H,(H,5,6)(H,7,8)/b;2-1+