(E)-but-2-enedioic acid; 1-(2,5-dimethylthiophen-3-yl)-3-(5-methyl-1H-imidazol-4-yl)propan-1-one

Systemtic Name: (E)-but-2-enedioic acid; 1-(2,5-dimethylthiophen-3-yl)-3-(5-methyl-1H-imidazol-4-yl)propan-1-one Openeye Name: 1-(2,5-dimethyl-3-thienyl)-3-(5-methyl-1H-imidazol-4-yl)propan-1-one; fumaric acid CAS Name: (E)-2-butenedioic acid; 1-(2,5-dimethyl-3-thiophenyl)-3-(5-methyl-1H-imidazol-4-yl)-1-propanone IUPAC Name: (E)-but-2-enedioic acid; 1-(2,5-dimethylthiophen-3-yl)-3-(5-methyl-1H-imidazol-4-yl)propan-1-one Traditional Name: 1-(2,5-dimethyl-3-thienyl)-3-(5-methyl-1H-imidazol-4-yl)propan-1-one; fumaric acid Formula: C17H20N2O5S MolecularWeight: 364.4161

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)C)C(=O)CCC2=C(NC=N2)C.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC1=CC(=C(S1)C)C(=O)CCC2=C(NC=N2)C.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C13H16N2OS.C4H4O4/c1-8-6-11(10(3)17-8)13(16)5-4-12-9(2)14-7-15-12;5-3(6)1-2-4(7)8/h6-7H,4-5H2,1-3H3,(H,14,15);1-2H,(H,5,6)(H,7,8)/b;2-1+