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

Systemtic Name: (E)-but-2-enedioate; 5-[1-(3-methylthiophen-2-yl)propyl]-1H-imidazole Openeye Name: (E)-but-2-enedioate; 5-[1-(3-methyl-2-thienyl)propyl]-1H-imidazole CAS Name: (E)-2-butenedioate; 5-[1-(3-methyl-2-thiophenyl)propyl]-1H-imidazole IUPAC Name: (E)-but-2-enedioate; 5-[1-(3-methylthiophen-2-yl)propyl]-1H-imidazole Traditional Name: 5-[1-(3-methyl-2-thienyl)propyl]-1H-imidazole fumarate Formula: C15H16N2O4S-2 MolecularWeight: 320.36354

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CN=CN1)C2=C(C=CS2)C.C(=CC(=O)[O-])C(=O)[O-]

Isomeric SMILES

CCC(C1=CN=CN1)C2=C(C=CS2)C.C(=C/C(=O)[O-])\C(=O)[O-]

InChI

InChI=1S/C11H14N2S.C4H4O4/c1-3-9(10-6-12-7-13-10)11-8(2)4-5-14-11;5-3(6)1-2-4(7)8/h4-7,9H,3H2,1-2H3,(H,12,13);1-2H,(H,5,6)(H,7,8)/p-2/b;2-1+