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

Systemtic Name: (E)-but-2-enedioic acid; 1-methyl-3-propyl-3-thiophen-2-yl-pyrrolidine Openeye Name: fumaric acid; 1-methyl-3-propyl-3-(2-thienyl)pyrrolidine CAS Name: (E)-2-butenedioic acid; 1-methyl-3-propyl-3-thiophen-2-ylpyrrolidine IUPAC Name: (E)-but-2-enedioic acid; 1-methyl-3-propyl-3-thiophen-2-ylpyrrolidine Traditional Name: fumaric acid; 1-methyl-3-propyl-3-(2-thienyl)pyrrolidine Formula: C16H23NO4S MolecularWeight: 325.42312

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1(CCN(C1)C)C2=CC=CS2.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCCC1(CCN(C1)C)C2=CC=CS2.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C12H19NS.C4H4O4/c1-3-6-12(7-8-13(2)10-12)11-5-4-9-14-11;5-3(6)1-2-4(7)8/h4-5,9H,3,6-8,10H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+