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

Systemtic Name: 4-[5-(5-imidazol-1-ylpentyl)thiophen-2-yl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[5-(5-imidazol-1-ylpentyl)-2-thienyl]-4-oxo-butanoic acid CAS Name: 4-[5-[5-(1-imidazolyl)pentyl]-2-thiophenyl]-4-oxobutanoic acid IUPAC Name: 4-[5-(5-imidazol-1-ylpentyl)thiophen-2-yl]-4-oxobutanoic acid Traditional Name: 4-[5-(5-imidazol-1-ylpentyl)-2-thienyl]-4-keto-butyric acid Formula: C16H20N2O3S MolecularWeight: 320.4066

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C=N1)CCCCCC2=CC=C(S2)C(=O)CCC(=O)O

Isomeric SMILES

C1=CN(C=N1)CCCCCC2=CC=C(S2)C(=O)CCC(=O)O

InChI

InChI=1S/C16H20N2O3S/c19-14(6-8-16(20)21)15-7-5-13(22-15)4-2-1-3-10-18-11-9-17-12-18/h5,7,9,11-12H,1-4,6,8,10H2,(H,20,21)