4-[5-(9-imidazol-1-ylnonyl)thiophen-2-yl]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[5-(9-imidazol-1-ylnonyl)thiophen-2-yl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[5-(9-imidazol-1-ylnonyl)-2-thienyl]-4-oxo-butanoic acid CAS Name: 4-[5-[9-(1-imidazolyl)nonyl]-2-thiophenyl]-4-oxobutanoic acid IUPAC Name: 4-[5-(9-imidazol-1-ylnonyl)thiophen-2-yl]-4-oxobutanoic acid Traditional Name: 4-[5-(9-imidazol-1-ylnonyl)-2-thienyl]-4-keto-butyric acid Formula: C20H28N2O3S MolecularWeight: 376.51292

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C=N1)CCCCCCCCCC2=CC=C(S2)C(=O)CCC(=O)O

Isomeric SMILES

C1=CN(C=N1)CCCCCCCCCC2=CC=C(S2)C(=O)CCC(=O)O

InChI

InChI=1S/C20H28N2O3S/c23-18(10-12-20(24)25)19-11-9-17(26-19)8-6-4-2-1-3-5-7-14-22-15-13-21-16-22/h9,11,13,15-16H,1-8,10,12,14H2,(H,24,25)