4-[[2-butyl-5-[[(E)-3-oxidanyl-3-oxidanylidene-1-thiophen-2-yl-prop-1-en-2-yl]sulfanylmethyl]imidazol-1-yl]methyl]benzoic acid

Systemtic Name: 4-[[2-butyl-5-[[(E)-3-oxidanyl-3-oxidanylidene-1-thiophen-2-yl-prop-1-en-2-yl]sulfanylmethyl]imidazol-1-yl]methyl]benzoic acid Openeye Name: 4-[[2-butyl-5-[[(E)-1-carboxy-2-(2-thienyl)vinyl]sulfanylmethyl]imidazol-1-yl]methyl]benzoic acid CAS Name: 4-[[2-butyl-5-[[[(E)-3-hydroxy-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]thio]methyl]-1-imidazolyl]methyl]benzoic acid IUPAC Name: 4-[[2-butyl-5-[[(E)-3-hydroxy-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]sulfanylmethyl]imidazol-1-yl]methyl]benzoic acid Traditional Name: 4-[[2-butyl-5-[[[(E)-1-carboxy-2-(2-thienyl)vinyl]thio]methyl]imidazol-1-yl]methyl]benzoic acid Formula: C23H24N2O4S2 MolecularWeight: 456.57766

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC=C(N1CC2=CC=C(C=C2)C(=O)O)CSC(=CC3=CC=CS3)C(=O)O

Isomeric SMILES

CCCCC1=NC=C(N1CC2=CC=C(C=C2)C(=O)O)CS/C(=C/C3=CC=CS3)/C(=O)O

InChI

InChI=1S/C23H24N2O4S2/c1-2-3-6-21-24-13-18(15-31-20(23(28)29)12-19-5-4-11-30-19)25(21)14-16-7-9-17(10-8-16)22(26)27/h4-5,7-13H,2-3,6,14-15H2,1H3,(H,26,27)(H,28,29)/b20-12+