(E)-but-2-enedioic acid; N-[2-(1,2-dimethylindol-3-yl)sulfanylethyl]-1-methyl-pyrrolidin-2-imine

Systemtic Name: (E)-but-2-enedioic acid; N-[2-(1,2-dimethylindol-3-yl)sulfanylethyl]-1-methyl-pyrrolidin-2-imine Openeye Name: N-[2-(1,2-dimethylindol-3-yl)sulfanylethyl]-1-methyl-pyrrolidin-2-imine; fumaric acid CAS Name: (E)-2-butenedioic acid; N-[2-[(1,2-dimethyl-3-indolyl)thio]ethyl]-1-methyl-2-pyrrolidinimine IUPAC Name: (E)-but-2-enedioic acid; N-[2-(1,2-dimethylindol-3-yl)sulfanylethyl]-1-methylpyrrolidin-2-imine Traditional Name: 2-[(1,2-dimethylindol-3-yl)thio]ethyl-(1-methylpyrrolidin-2-ylidene)amine; fumaric acid Formula: C21H27N3O4S MolecularWeight: 417.52178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1C)SCCN=C3CCCN3C.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1C)SCCN=C3CCCN3C.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C17H23N3S.C4H4O4/c1-13-17(14-7-4-5-8-15(14)20(13)3)21-12-10-18-16-9-6-11-19(16)2;5-3(6)1-2-4(7)8/h4-5,7-8H,6,9-12H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1+