6-[[2-butyl-5-[(E)-3-oxidanyl-3-oxidanylidene-2-(thiophen-2-ylmethyl)prop-1-enyl]imidazol-1-yl]methyl]pyridine-3-carboxylic acid

Systemtic Name: 6-[[2-butyl-5-[(E)-3-oxidanyl-3-oxidanylidene-2-(thiophen-2-ylmethyl)prop-1-enyl]imidazol-1-yl]methyl]pyridine-3-carboxylic acid Openeye Name: 6-[[2-butyl-5-[(E)-3-hydroxy-3-oxo-2-(2-thienylmethyl)prop-1-enyl]imidazol-1-yl]methyl]pyridine-3-carboxylic acid CAS Name: 6-[[2-butyl-5-[(E)-3-hydroxy-3-oxo-2-(thiophen-2-ylmethyl)prop-1-enyl]-1-imidazolyl]methyl]-3-pyridinecarboxylic acid IUPAC Name: 6-[[2-butyl-5-[(E)-3-hydroxy-3-oxo-2-(thiophen-2-ylmethyl)prop-1-enyl]imidazol-1-yl]methyl]pyridine-3-carboxylic acid Traditional Name: 6-[[2-butyl-5-[(E)-3-hydroxy-3-keto-2-(2-thenyl)prop-1-enyl]imidazol-1-yl]methyl]nicotinic acid Formula: C22H23N3O4S MolecularWeight: 425.50072

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N3O4S/c1-2-3-6-20-24-13-18(10-16(22(28)29)11-19-5-4-9-30-19)25(20)14-17-8-7-15(12-23-17)21(26)27/h4-5,7-10,12-13H,2-3,6,11,14H2,1H3,(H,26,27)(H,28,29)/b16-10+