4-[5-(6-imidazol-1-ylhexyl)thiophen-2-yl]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[5-(6-imidazol-1-ylhexyl)thiophen-2-yl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[5-(6-imidazol-1-ylhexyl)-2-thienyl]-4-oxo-butanoic acid CAS Name: 4-[5-[6-(1-imidazolyl)hexyl]-2-thiophenyl]-4-oxobutanoic acid IUPAC Name: 4-[5-(6-imidazol-1-ylhexyl)thiophen-2-yl]-4-oxobutanoic acid Traditional Name: 4-[5-(6-imidazol-1-ylhexyl)-2-thienyl]-4-keto-butyric acid Formula: C17H22N2O3S MolecularWeight: 334.43318

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C=N1)CCCCCCC2=CC=C(S2)C(=O)CCC(=O)O

Isomeric SMILES

C1=CN(C=N1)CCCCCCC2=CC=C(S2)C(=O)CCC(=O)O

InChI

InChI=1S/C17H22N2O3S/c20-15(7-9-17(21)22)16-8-6-14(23-16)5-3-1-2-4-11-19-12-10-18-13-19/h6,8,10,12-13H,1-5,7,9,11H2,(H,21,22)