(E)-but-2-enedioate; 5-[(2-ethylthiophen-3-yl)methyl]-1H-imidazole

Systemtic Name: (E)-but-2-enedioate; 5-[(2-ethylthiophen-3-yl)methyl]-1H-imidazole Openeye Name: (E)-but-2-enedioate; 5-[(2-ethyl-3-thienyl)methyl]-1H-imidazole CAS Name: (E)-2-butenedioate; 5-[(2-ethyl-3-thiophenyl)methyl]-1H-imidazole IUPAC Name: (E)-but-2-enedioate; 5-[(2-ethylthiophen-3-yl)methyl]-1H-imidazole Traditional Name: 5-[(2-ethyl-3-thienyl)methyl]-1H-imidazole fumarate Formula: C14H14N2O4S-2 MolecularWeight: 306.33696

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CS1)CC2=CN=CN2.C(=CC(=O)[O-])C(=O)[O-]

Isomeric SMILES

CCC1=C(C=CS1)CC2=CN=CN2.C(=C/C(=O)[O-])\C(=O)[O-]

InChI

InChI=1S/C10H12N2S.C4H4O4/c1-2-10-8(3-4-13-10)5-9-6-11-7-12-9;5-3(6)1-2-4(7)8/h3-4,6-7H,2,5H2,1H3,(H,11,12);1-2H,(H,5,6)(H,7,8)/p-2/b;2-1+