(E)-but-2-enedioic acid; 1-methyl-3-(phenylmethyl)-3-thiophen-2-yl-pyrrolidine

Systemtic Name: (E)-but-2-enedioic acid; 1-methyl-3-(phenylmethyl)-3-thiophen-2-yl-pyrrolidine Openeye Name: 3-benzyl-1-methyl-3-(2-thienyl)pyrrolidine; fumaric acid CAS Name: (E)-2-butenedioic acid; 1-methyl-3-(phenylmethyl)-3-thiophen-2-ylpyrrolidine IUPAC Name: 3-benzyl-1-methyl-3-thiophen-2-ylpyrrolidine; (E)-but-2-enedioic acid Traditional Name: 3-benzyl-1-methyl-3-(2-thienyl)pyrrolidine; fumaric acid Formula: C20H23NO4S MolecularWeight: 373.46592

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(C1)(CC2=CC=CC=C2)C3=CC=CS3.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN1CCC(C1)(CC2=CC=CC=C2)C3=CC=CS3.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C16H19NS.C4H4O4/c1-17-10-9-16(13-17,15-8-5-11-18-15)12-14-6-3-2-4-7-14;5-3(6)1-2-4(7)8/h2-8,11H,9-10,12-13H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+