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

Systemtic Name: 4-[[5-[(E)-3-oxidanyl-3-oxidanylidene-2-(thiophen-2-ylmethyl)prop-1-enyl]-2-phenethyl-imidazol-1-yl]methyl]benzoic acid Openeye Name: 4-[[5-[(E)-3-hydroxy-3-oxo-2-(2-thienylmethyl)prop-1-enyl]-2-phenethyl-imidazol-1-yl]methyl]benzoic acid CAS Name: 4-[[5-[(E)-3-hydroxy-3-oxo-2-(thiophen-2-ylmethyl)prop-1-enyl]-2-phenethyl-1-imidazolyl]methyl]benzoic acid IUPAC Name: 4-[[5-[(E)-3-hydroxy-3-oxo-2-(thiophen-2-ylmethyl)prop-1-enyl]-2-phenethylimidazol-1-yl]methyl]benzoic acid Traditional Name: 4-[[5-[(E)-3-hydroxy-3-keto-2-(2-thenyl)prop-1-enyl]-2-phenethyl-imidazol-1-yl]methyl]benzoic acid Formula: C27H24N2O4S MolecularWeight: 472.55546

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC2=NC=C(N2CC3=CC=C(C=C3)C(=O)O)C=C(CC4=CC=CS4)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCC2=NC=C(N2CC3=CC=C(C=C3)C(=O)O)/C=C(\CC4=CC=CS4)/C(=O)O

InChI

InChI=1S/C27H24N2O4S/c30-26(31)21-11-8-20(9-12-21)18-29-23(15-22(27(32)33)16-24-7-4-14-34-24)17-28-25(29)13-10-19-5-2-1-3-6-19/h1-9,11-12,14-15,17H,10,13,16,18H2,(H,30,31)(H,32,33)/b22-15+