2-ethyl-4-(5-imidazol-1-ylthiophen-2-yl)-4-oxidanylidene-butanoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC(=O)C1=CC=C(S1)N2C=CN=C2)C(=O)O

Isomeric SMILES

CCC(CC(=O)C1=CC=C(S1)N2C=CN=C2)C(=O)O

InChI

InChI=1S/C13H14N2O3S/c1-2-9(13(17)18)7-10(16)11-3-4-12(19-11)15-6-5-14-8-15/h3-6,8-9H,2,7H2,1H3,(H,17,18)