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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CS1)C(C)C2=CN=CN2.C(=CC(=O)[O-])C(=O)[O-]

Isomeric SMILES

CC1=C(C=CS1)C(C)C2=CN=CN2.C(=C/C(=O)[O-])\C(=O)[O-]

InChI

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