4-[[2-butyl-4-chloranyl-5-[3-oxidanyl-3-oxidanylidene-2-(thiophen-2-ylmethyl)propyl]imidazol-1-yl]methyl]benzoic acid

Systemtic Name: 4-[[2-butyl-4-chloranyl-5-[3-oxidanyl-3-oxidanylidene-2-(thiophen-2-ylmethyl)propyl]imidazol-1-yl]methyl]benzoic acid Openeye Name: 4-[[2-butyl-4-chloro-5-[3-hydroxy-3-oxo-2-(2-thienylmethyl)propyl]imidazol-1-yl]methyl]benzoic acid CAS Name: 4-[[2-butyl-4-chloro-5-[3-hydroxy-3-oxo-2-(thiophen-2-ylmethyl)propyl]-1-imidazolyl]methyl]benzoic acid IUPAC Name: 4-[[2-butyl-4-chloro-5-[3-hydroxy-3-oxo-2-(thiophen-2-ylmethyl)propyl]imidazol-1-yl]methyl]benzoic acid Traditional Name: 4-[[2-butyl-4-chloro-5-[3-hydroxy-3-keto-2-(2-thenyl)propyl]imidazol-1-yl]methyl]benzoic acid Formula: C23H25ClN2O4S MolecularWeight: 460.9736

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25ClN2O4S/c1-2-3-6-20-25-21(24)19(13-17(23(29)30)12-18-5-4-11-31-18)26(20)14-15-7-9-16(10-8-15)22(27)28/h4-5,7-11,17H,2-3,6,12-14H2,1H3,(H,27,28)(H,29,30)