4-[5-(3-imidazol-1-ylpropyl)thiophen-2-yl]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[5-(3-imidazol-1-ylpropyl)thiophen-2-yl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[5-(3-imidazol-1-ylpropyl)-2-thienyl]-4-oxo-butanoic acid CAS Name: 4-[5-[3-(1-imidazolyl)propyl]-2-thiophenyl]-4-oxobutanoic acid IUPAC Name: 4-[5-(3-imidazol-1-ylpropyl)thiophen-2-yl]-4-oxobutanoic acid Traditional Name: 4-[5-(3-imidazol-1-ylpropyl)-2-thienyl]-4-keto-butyric acid Formula: C14H16N2O3S MolecularWeight: 292.35344

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C=N1)CCCC2=CC=C(S2)C(=O)CCC(=O)O

Isomeric SMILES

C1=CN(C=N1)CCCC2=CC=C(S2)C(=O)CCC(=O)O

InChI

InChI=1S/C14H16N2O3S/c17-12(4-6-14(18)19)13-5-3-11(20-13)2-1-8-16-9-7-15-10-16/h3,5,7,9-10H,1-2,4,6,8H2,(H,18,19)