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

Systemtic Name: 1-(1-benzothiophen-3-yl)-3-(5-methyl-1H-imidazol-4-yl)propan-1-one; (E)-but-2-enedioic acid Openeye Name: 1-(benzothiophen-3-yl)-3-(5-methyl-1H-imidazol-4-yl)propan-1-one; fumaric acid CAS Name: 1-(1-benzothiophen-3-yl)-3-(5-methyl-1H-imidazol-4-yl)-1-propanone; (E)-2-butenedioic acid IUPAC Name: 1-(1-benzothiophen-3-yl)-3-(5-methyl-1H-imidazol-4-yl)propan-1-one; (E)-but-2-enedioic acid Traditional Name: 1-(benzothiophen-3-yl)-3-(5-methyl-1H-imidazol-4-yl)propan-1-one; fumaric acid Formula: C19H18N2O5S MolecularWeight: 386.42162

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CN1)CCC(=O)C2=CSC3=CC=CC=C32.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC1=C(N=CN1)CCC(=O)C2=CSC3=CC=CC=C32.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C15H14N2OS.C4H4O4/c1-10-13(17-9-16-10)6-7-14(18)12-8-19-15-5-3-2-4-11(12)15;5-3(6)1-2-4(7)8/h2-5,8-9H,6-7H2,1H3,(H,16,17);1-2H,(H,5,6)(H,7,8)/b;2-1+