4-[[2-hexyl-5-[(Z)-3-oxidanyl-3-oxidanylidene-2-thiophen-2-yl-prop-1-enyl]imidazol-1-yl]methyl]benzoic acid

Systemtic Name: 4-[[2-hexyl-5-[(Z)-3-oxidanyl-3-oxidanylidene-2-thiophen-2-yl-prop-1-enyl]imidazol-1-yl]methyl]benzoic acid Openeye Name: 4-[[2-hexyl-5-[(Z)-3-hydroxy-3-oxo-2-(2-thienyl)prop-1-enyl]imidazol-1-yl]methyl]benzoic acid CAS Name: 4-[[2-hexyl-5-[(Z)-3-hydroxy-3-oxo-2-thiophen-2-ylprop-1-enyl]-1-imidazolyl]methyl]benzoic acid IUPAC Name: 4-[[2-hexyl-5-[(Z)-3-hydroxy-3-oxo-2-thiophen-2-ylprop-1-enyl]imidazol-1-yl]methyl]benzoic acid Traditional Name: 4-[[2-hexyl-5-[(Z)-3-hydroxy-3-keto-2-(2-thienyl)prop-1-enyl]imidazol-1-yl]methyl]benzoic acid Formula: C24H26N2O4S MolecularWeight: 438.53924

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=NC=C(N1CC2=CC=C(C=C2)C(=O)O)C=C(C3=CC=CS3)C(=O)O

Isomeric SMILES

CCCCCCC1=NC=C(N1CC2=CC=C(C=C2)C(=O)O)/C=C(\C3=CC=CS3)/C(=O)O

InChI

InChI=1S/C24H26N2O4S/c1-2-3-4-5-8-22-25-15-19(14-20(24(29)30)21-7-6-13-31-21)26(22)16-17-9-11-18(12-10-17)23(27)28/h6-7,9-15H,2-5,8,16H2,1H3,(H,27,28)(H,29,30)/b20-14+