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

Systemtic Name: 4-[[2-butyl-5-[(E)-3-oxidanyl-3-oxidanylidene-2-(thiophen-2-ylmethyl)prop-1-enyl]imidazol-1-yl]methyl]phthalic acid Openeye Name: 4-[[2-butyl-5-[(E)-3-hydroxy-3-oxo-2-(2-thienylmethyl)prop-1-enyl]imidazol-1-yl]methyl]phthalic acid CAS Name: 4-[[2-butyl-5-[(E)-3-hydroxy-3-oxo-2-(thiophen-2-ylmethyl)prop-1-enyl]-1-imidazolyl]methyl]phthalic acid IUPAC Name: 4-[[2-butyl-5-[(E)-3-hydroxy-3-oxo-2-(thiophen-2-ylmethyl)prop-1-enyl]imidazol-1-yl]methyl]phthalic acid Traditional Name: 4-[[2-butyl-5-[(E)-3-hydroxy-3-keto-2-(2-thenyl)prop-1-enyl]imidazol-1-yl]methyl]phthalic acid Formula: C24H24N2O6S MolecularWeight: 468.52216

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC=C(N1CC2=CC(=C(C=C2)C(=O)O)C(=O)O)C=C(CC3=CC=CS3)C(=O)O

Isomeric SMILES

CCCCC1=NC=C(N1CC2=CC(=C(C=C2)C(=O)O)C(=O)O)/C=C(\CC3=CC=CS3)/C(=O)O

InChI

InChI=1S/C24H24N2O6S/c1-2-3-6-21-25-13-17(11-16(22(27)28)12-18-5-4-9-33-18)26(21)14-15-7-8-19(23(29)30)20(10-15)24(31)32/h4-5,7-11,13H,2-3,6,12,14H2,1H3,(H,27,28)(H,29,30)(H,31,32)/b16-11+