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

Systemtic Name: 4-[[5-[(E)-3-oxidanyl-3-oxidanylidene-2-(thiophen-2-ylmethyl)prop-1-enyl]-2-propyl-imidazol-1-yl]methyl]benzoic acid Openeye Name: 4-[[5-[(E)-3-hydroxy-3-oxo-2-(2-thienylmethyl)prop-1-enyl]-2-propyl-imidazol-1-yl]methyl]benzoic acid CAS Name: 4-[[5-[(E)-3-hydroxy-3-oxo-2-(thiophen-2-ylmethyl)prop-1-enyl]-2-propyl-1-imidazolyl]methyl]benzoic acid IUPAC Name: 4-[[5-[(E)-3-hydroxy-3-oxo-2-(thiophen-2-ylmethyl)prop-1-enyl]-2-propylimidazol-1-yl]methyl]benzoic acid Traditional Name: 4-[[5-[(E)-3-hydroxy-3-keto-2-(2-thenyl)prop-1-enyl]-2-propyl-imidazol-1-yl]methyl]benzoic acid Formula: C22H22N2O4S MolecularWeight: 410.48608

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC=C(N1CC2=CC=C(C=C2)C(=O)O)C=C(CC3=CC=CS3)C(=O)O

Isomeric SMILES

CCCC1=NC=C(N1CC2=CC=C(C=C2)C(=O)O)/C=C(\CC3=CC=CS3)/C(=O)O

InChI

InChI=1S/C22H22N2O4S/c1-2-4-20-23-13-18(11-17(22(27)28)12-19-5-3-10-29-19)24(20)14-15-6-8-16(9-7-15)21(25)26/h3,5-11,13H,2,4,12,14H2,1H3,(H,25,26)(H,27,28)/b17-11+