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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC=C(N1C2=CC=C(C=C2)C(=O)O)C=C(CC3=CC=CS3)C(=O)O

Isomeric SMILES

CCCCC1=NC=C(N1C2=CC=C(C=C2)C(=O)O)/C=C(\CC3=CC=CS3)/C(=O)O

InChI

InChI=1S/C22H22N2O4S/c1-2-3-6-20-23-14-18(12-16(22(27)28)13-19-5-4-11-29-19)24(20)17-9-7-15(8-10-17)21(25)26/h4-5,7-12,14H,2-3,6,13H2,1H3,(H,25,26)(H,27,28)/b16-12+