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

Systemtic Name: (E)-but-2-enedioic acid; 1-(2-methyl-1-benzothiophen-3-yl)-3-(5-methyl-1H-imidazol-4-yl)propan-1-one Openeye Name: fumaric acid; 1-(2-methylbenzothiophen-3-yl)-3-(5-methyl-1H-imidazol-4-yl)propan-1-one CAS Name: (E)-2-butenedioic acid; 1-(2-methyl-1-benzothiophen-3-yl)-3-(5-methyl-1H-imidazol-4-yl)-1-propanone IUPAC Name: (E)-but-2-enedioic acid; 1-(2-methyl-1-benzothiophen-3-yl)-3-(5-methyl-1H-imidazol-4-yl)propan-1-one Traditional Name: fumaric acid; 1-(2-methylbenzothiophen-3-yl)-3-(5-methyl-1H-imidazol-4-yl)propan-1-one Formula: C20H20N2O5S MolecularWeight: 400.4482

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CN1)CCC(=O)C2=C(SC3=CC=CC=C32)C.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC1=C(N=CN1)CCC(=O)C2=C(SC3=CC=CC=C32)C.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C16H16N2OS.C4H4O4/c1-10-13(18-9-17-10)7-8-14(19)16-11(2)20-15-6-4-3-5-12(15)16;5-3(6)1-2-4(7)8/h3-6,9H,7-8H2,1-2H3,(H,17,18);1-2H,(H,5,6)(H,7,8)/b;2-1+