(E)-but-2-enedioic acid; N-methyl-3-thiophen-2-yl-propan-1-amine

Systemtic Name: (E)-but-2-enedioic acid; N-methyl-3-thiophen-2-yl-propan-1-amine Openeye Name: fumaric acid; N-methyl-3-(2-thienyl)propan-1-amine CAS Name: (E)-2-butenedioic acid; N-methyl-3-thiophen-2-yl-1-propanamine IUPAC Name: (E)-but-2-enedioic acid; N-methyl-3-thiophen-2-ylpropan-1-amine Traditional Name: fumaric acid; methyl-[3-(2-thienyl)propyl]amine Formula: C12H17NO4S MolecularWeight: 271.33268

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Descriptors Computed from Structure

Canonical SMILES:

CNCCCC1=CC=CS1.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CNCCCC1=CC=CS1.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C8H13NS.C4H4O4/c1-9-6-2-4-8-5-3-7-10-8;5-3(6)1-2-4(7)8/h3,5,7,9H,2,4,6H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+