4-[5-[6-(2-methylimidazol-1-yl)hexyl]thiophen-2-yl]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[5-[6-(2-methylimidazol-1-yl)hexyl]thiophen-2-yl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[5-[6-(2-methylimidazol-1-yl)hexyl]-2-thienyl]-4-oxo-butanoic acid CAS Name: 4-[5-[6-(2-methyl-1-imidazolyl)hexyl]-2-thiophenyl]-4-oxobutanoic acid IUPAC Name: 4-[5-[6-(2-methylimidazol-1-yl)hexyl]thiophen-2-yl]-4-oxobutanoic acid Traditional Name: 4-keto-4-[5-[6-(2-methylimidazol-1-yl)hexyl]-2-thienyl]butyric acid Formula: C18H24N2O3S MolecularWeight: 348.45976

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=CN1CCCCCCC2=CC=C(S2)C(=O)CCC(=O)O

Isomeric SMILES

CC1=NC=CN1CCCCCCC2=CC=C(S2)C(=O)CCC(=O)O

InChI

InChI=1S/C18H24N2O3S/c1-14-19-11-13-20(14)12-5-3-2-4-6-15-7-9-17(24-15)16(21)8-10-18(22)23/h7,9,11,13H,2-6,8,10,12H2,1H3,(H,22,23)