(E)-but-2-enedioic acid; 5-(3,4-dimethylthiophen-2-yl)-2-ethyl-1H-imidazole

Systemtic Name: (E)-but-2-enedioic acid; 5-(3,4-dimethylthiophen-2-yl)-2-ethyl-1H-imidazole Openeye Name: 5-(3,4-dimethyl-2-thienyl)-2-ethyl-1H-imidazole; fumaric acid CAS Name: (E)-2-butenedioic acid; 5-(3,4-dimethyl-2-thiophenyl)-2-ethyl-1H-imidazole IUPAC Name: (E)-but-2-enedioic acid; 5-(3,4-dimethylthiophen-2-yl)-2-ethyl-1H-imidazole Traditional Name: 5-(3,4-dimethyl-2-thienyl)-2-ethyl-1H-imidazole; fumaric acid Formula: C15H18N2O4S MolecularWeight: 322.37942

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC=C(N1)C2=C(C(=CS2)C)C.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCC1=NC=C(N1)C2=C(C(=CS2)C)C.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C11H14N2S.C4H4O4/c1-4-10-12-5-9(13-10)11-8(3)7(2)6-14-11;5-3(6)1-2-4(7)8/h5-6H,4H2,1-3H3,(H,12,13);1-2H,(H,5,6)(H,7,8)/b;2-1+