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

Systemtic Name: 4-[5-(4-imidazol-1-ylbutyl)thiophen-2-yl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[5-(4-imidazol-1-ylbutyl)-2-thienyl]-4-oxo-butanoic acid CAS Name: 4-[5-[4-(1-imidazolyl)butyl]-2-thiophenyl]-4-oxobutanoic acid IUPAC Name: 4-[5-(4-imidazol-1-ylbutyl)thiophen-2-yl]-4-oxobutanoic acid Traditional Name: 4-[5-(4-imidazol-1-ylbutyl)-2-thienyl]-4-keto-butyric acid Formula: C15H18N2O3S MolecularWeight: 306.38002

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C=N1)CCCCC2=CC=C(S2)C(=O)CCC(=O)O

Isomeric SMILES

C1=CN(C=N1)CCCCC2=CC=C(S2)C(=O)CCC(=O)O

InChI

InChI=1S/C15H18N2O3S/c18-13(5-7-15(19)20)14-6-4-12(21-14)3-1-2-9-17-10-8-16-11-17/h4,6,8,10-11H,1-3,5,7,9H2,(H,19,20)