(E)-but-2-enedioic acid; 3-thiophen-2-ylpropan-1-amine

Systemtic Name: (E)-but-2-enedioic acid; 3-thiophen-2-ylpropan-1-amine Openeye Name: fumaric acid; 3-(2-thienyl)propan-1-amine CAS Name: (E)-2-butenedioic acid; 3-thiophen-2-yl-1-propanamine IUPAC Name: (E)-but-2-enedioic acid; 3-thiophen-2-ylpropan-1-amine Traditional Name: fumaric acid; 3-(2-thienyl)propylamine Formula: C11H15NO4S MolecularWeight: 257.3061

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)CCCN.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1=CSC(=C1)CCCN.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C7H11NS.C4H4O4/c8-5-1-3-7-4-2-6-9-7;5-3(6)1-2-4(7)8/h2,4,6H,1,3,5,8H2;1-2H,(H,5,6)(H,7,8)/b;2-1+