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

Systemtic Name: (E)-but-2-enedioic acid; N-[2-(1H-indol-3-ylsulfanyl)ethyl]-1-prop-2-enyl-pyrrolidin-2-imine Openeye Name: 1-allyl-N-[2-(1H-indol-3-ylsulfanyl)ethyl]pyrrolidin-2-imine; fumaric acid CAS Name: (E)-2-butenedioic acid; N-[2-(1H-indol-3-ylthio)ethyl]-1-prop-2-enyl-2-pyrrolidinimine IUPAC Name: (E)-but-2-enedioic acid; N-[2-(1H-indol-3-ylsulfanyl)ethyl]-1-prop-2-enylpyrrolidin-2-imine Traditional Name: (1-allylpyrrolidin-2-ylidene)-[2-(1H-indol-3-ylthio)ethyl]amine; fumaric acid Formula: C21H25N3O4S MolecularWeight: 415.5059

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1CCCC1=NCCSC2=CNC3=CC=CC=C32.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C=CCN1CCCC1=NCCSC2=CNC3=CC=CC=C32.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C17H21N3S.C4H4O4/c1-2-10-20-11-5-8-17(20)18-9-12-21-16-13-19-15-7-4-3-6-14(15)16;5-3(6)1-2-4(7)8/h2-4,6-7,13,19H,1,5,8-12H2;1-2H,(H,5,6)(H,7,8)/b;2-1+