4-[5-(8-imidazol-1-yloctyl)thiophen-2-yl]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[5-(8-imidazol-1-yloctyl)thiophen-2-yl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[5-(8-imidazol-1-yloctyl)-2-thienyl]-4-oxo-butanoic acid CAS Name: 4-[5-[8-(1-imidazolyl)octyl]-2-thiophenyl]-4-oxobutanoic acid IUPAC Name: 4-[5-(8-imidazol-1-yloctyl)thiophen-2-yl]-4-oxobutanoic acid Traditional Name: 4-[5-(8-imidazol-1-yloctyl)-2-thienyl]-4-keto-butyric acid Formula: C19H26N2O3S MolecularWeight: 362.48634

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C=N1)CCCCCCCCC2=CC=C(S2)C(=O)CCC(=O)O

Isomeric SMILES

C1=CN(C=N1)CCCCCCCCC2=CC=C(S2)C(=O)CCC(=O)O

InChI

InChI=1S/C19H26N2O3S/c22-17(9-11-19(23)24)18-10-8-16(25-18)7-5-3-1-2-4-6-13-21-14-12-20-15-21/h8,10,12,14-15H,1-7,9,11,13H2,(H,23,24)