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

Systemtic Name: 4-[5-(2-imidazol-1-ylethyl)thiophen-2-yl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[5-(2-imidazol-1-ylethyl)-2-thienyl]-4-oxo-butanoic acid CAS Name: 4-[5-[2-(1-imidazolyl)ethyl]-2-thiophenyl]-4-oxobutanoic acid IUPAC Name: 4-[5-(2-imidazol-1-ylethyl)thiophen-2-yl]-4-oxobutanoic acid Traditional Name: 4-[5-(2-imidazol-1-ylethyl)-2-thienyl]-4-keto-butyric acid Formula: C13H14N2O3S MolecularWeight: 278.32686

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C=N1)CCC2=CC=C(S2)C(=O)CCC(=O)O

Isomeric SMILES

C1=CN(C=N1)CCC2=CC=C(S2)C(=O)CCC(=O)O

InChI

InChI=1S/C13H14N2O3S/c16-11(2-4-13(17)18)12-3-1-10(19-12)5-7-15-8-6-14-9-15/h1,3,6,8-9H,2,4-5,7H2,(H,17,18)