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

Systemtic Name: 4-[5-(imidazol-1-ylmethyl)thiophen-2-yl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[5-(imidazol-1-ylmethyl)-2-thienyl]-4-oxo-butanoic acid CAS Name: 4-[5-(1-imidazolylmethyl)-2-thiophenyl]-4-oxobutanoic acid IUPAC Name: 4-[5-(imidazol-1-ylmethyl)thiophen-2-yl]-4-oxobutanoic acid Traditional Name: 4-[5-(imidazol-1-ylmethyl)-2-thienyl]-4-keto-butyric acid Formula: C12H12N2O3S MolecularWeight: 264.30028

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C=N1)CC2=CC=C(S2)C(=O)CCC(=O)O

Isomeric SMILES

C1=CN(C=N1)CC2=CC=C(S2)C(=O)CCC(=O)O

InChI

InChI=1S/C12H12N2O3S/c15-10(2-4-12(16)17)11-3-1-9(18-11)7-14-6-5-13-8-14/h1,3,5-6,8H,2,4,7H2,(H,16,17)