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

Systemtic Name: 4-[[5-[(Z)-3-oxidanyl-3-oxidanylidene-2-thiophen-2-yl-prop-1-enyl]-2-propyl-imidazol-1-yl]methyl]benzoic acid Openeye Name: 4-[[5-[(Z)-3-hydroxy-3-oxo-2-(2-thienyl)prop-1-enyl]-2-propyl-imidazol-1-yl]methyl]benzoic acid CAS Name: 4-[[5-[(Z)-3-hydroxy-3-oxo-2-thiophen-2-ylprop-1-enyl]-2-propyl-1-imidazolyl]methyl]benzoic acid IUPAC Name: 4-[[5-[(Z)-3-hydroxy-3-oxo-2-thiophen-2-ylprop-1-enyl]-2-propylimidazol-1-yl]methyl]benzoic acid Traditional Name: 4-[[5-[(Z)-3-hydroxy-3-keto-2-(2-thienyl)prop-1-enyl]-2-propyl-imidazol-1-yl]methyl]benzoic acid Formula: C21H20N2O4S MolecularWeight: 396.4595

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC=C(N1CC2=CC=C(C=C2)C(=O)O)C=C(C3=CC=CS3)C(=O)O

Isomeric SMILES

CCCC1=NC=C(N1CC2=CC=C(C=C2)C(=O)O)/C=C(\C3=CC=CS3)/C(=O)O

InChI

InChI=1S/C21H20N2O4S/c1-2-4-19-22-12-16(11-17(21(26)27)18-5-3-10-28-18)23(19)13-14-6-8-15(9-7-14)20(24)25/h3,5-12H,2,4,13H2,1H3,(H,24,25)(H,26,27)/b17-11+