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

Systemtic Name: 4-[2-methyl-5-[(E)-4-oxidanyl-4-oxidanylidene-3-thiophen-2-yl-but-1-enyl]-1H-imidazol-4-yl]benzoic acid Openeye Name: 4-[5-[(E)-4-hydroxy-4-oxo-3-(2-thienyl)but-1-enyl]-2-methyl-1H-imidazol-4-yl]benzoic acid CAS Name: 4-[5-[(E)-4-hydroxy-4-oxo-3-thiophen-2-ylbut-1-enyl]-2-methyl-1H-imidazol-4-yl]benzoic acid IUPAC Name: 4-[5-[(E)-4-hydroxy-4-oxo-3-thiophen-2-ylbut-1-enyl]-2-methyl-1H-imidazol-4-yl]benzoic acid Traditional Name: 4-[5-[(E)-4-hydroxy-4-keto-3-(2-thienyl)but-1-enyl]-2-methyl-1H-imidazol-4-yl]benzoic acid Formula: C19H16N2O4S MolecularWeight: 368.40634

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(N1)C=CC(C2=CC=CS2)C(=O)O)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CC1=NC(=C(N1)/C=C/C(C2=CC=CS2)C(=O)O)C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C19H16N2O4S/c1-11-20-15(9-8-14(19(24)25)16-3-2-10-26-16)17(21-11)12-4-6-13(7-5-12)18(22)23/h2-10,14H,1H3,(H,20,21)(H,22,23)(H,24,25)/b9-8+