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

Systemtic Name: 4-[2-ethyl-5-[(E)-3-oxidanyl-3-oxidanylidene-2-(thiophen-2-ylmethyl)prop-1-enyl]-1H-imidazol-4-yl]benzoic acid Openeye Name: 4-[2-ethyl-5-[(E)-3-hydroxy-3-oxo-2-(2-thienylmethyl)prop-1-enyl]-1H-imidazol-4-yl]benzoic acid CAS Name: 4-[2-ethyl-5-[(E)-3-hydroxy-3-oxo-2-(thiophen-2-ylmethyl)prop-1-enyl]-1H-imidazol-4-yl]benzoic acid IUPAC Name: 4-[2-ethyl-5-[(E)-3-hydroxy-3-oxo-2-(thiophen-2-ylmethyl)prop-1-enyl]-1H-imidazol-4-yl]benzoic acid Traditional Name: 4-[2-ethyl-5-[(E)-3-hydroxy-3-keto-2-(2-thenyl)prop-1-enyl]-1H-imidazol-4-yl]benzoic acid Formula: C20H18N2O4S MolecularWeight: 382.43292

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=C(N1)C=C(CC2=CC=CS2)C(=O)O)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CCC1=NC(=C(N1)/C=C(\CC2=CC=CS2)/C(=O)O)C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C20H18N2O4S/c1-2-17-21-16(11-14(20(25)26)10-15-4-3-9-27-15)18(22-17)12-5-7-13(8-6-12)19(23)24/h3-9,11H,2,10H2,1H3,(H,21,22)(H,23,24)(H,25,26)/b14-11+