(E)-but-2-enedioic acid; N-ethyl-1-(3-methylthiophen-2-yl)-2-pyridin-2-yl-ethanamine

Systemtic Name: (E)-but-2-enedioic acid; N-ethyl-1-(3-methylthiophen-2-yl)-2-pyridin-2-yl-ethanamine Openeye Name: N-ethyl-1-(3-methyl-2-thienyl)-2-(2-pyridyl)ethanamine; fumaric acid CAS Name: (E)-2-butenedioic acid; N-ethyl-1-(3-methyl-2-thiophenyl)-2-(2-pyridinyl)ethanamine IUPAC Name: (E)-but-2-enedioic acid; N-ethyl-1-(3-methylthiophen-2-yl)-2-pyridin-2-ylethanamine Traditional Name: ethyl-[1-(3-methyl-2-thienyl)-2-(2-pyridyl)ethyl]amine; fumaric acid Formula: C18H22N2O4S MolecularWeight: 362.44328

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCNC(CC1=CC=CC=N1)C2=C(C=CS2)C.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCNC(CC1=CC=CC=N1)C2=C(C=CS2)C.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C14H18N2S.C4H4O4/c1-3-15-13(14-11(2)7-9-17-14)10-12-6-4-5-8-16-12;5-3(6)1-2-4(7)8/h4-9,13,15H,3,10H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+