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

Systemtic Name: 4-[[2-butyl-5-[(Z)-3-oxidanyl-3-oxidanylidene-2-(thiophen-3-ylmethyl)prop-1-enyl]imidazol-1-yl]methyl]benzoic acid Openeye Name: 4-[[2-butyl-5-[(Z)-3-hydroxy-3-oxo-2-(3-thienylmethyl)prop-1-enyl]imidazol-1-yl]methyl]benzoic acid CAS Name: 4-[[2-butyl-5-[(Z)-3-hydroxy-3-oxo-2-(3-thiophenylmethyl)prop-1-enyl]-1-imidazolyl]methyl]benzoic acid IUPAC Name: 4-[[2-butyl-5-[(Z)-3-hydroxy-3-oxo-2-(thiophen-3-ylmethyl)prop-1-enyl]imidazol-1-yl]methyl]benzoic acid Traditional Name: 4-[[2-butyl-5-[(Z)-3-hydroxy-3-keto-2-(3-thenyl)prop-1-enyl]imidazol-1-yl]methyl]benzoic acid Formula: C23H24N2O4S MolecularWeight: 424.51266

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC=C(N1CC2=CC=C(C=C2)C(=O)O)C=C(CC3=CSC=C3)C(=O)O

Isomeric SMILES

CCCCC1=NC=C(N1CC2=CC=C(C=C2)C(=O)O)/C=C(/CC3=CSC=C3)\C(=O)O

InChI

InChI=1S/C23H24N2O4S/c1-2-3-4-21-24-13-20(12-19(23(28)29)11-17-9-10-30-15-17)25(21)14-16-5-7-18(8-6-16)22(26)27/h5-10,12-13,15H,2-4,11,14H2,1H3,(H,26,27)(H,28,29)/b19-12-