ethyl 2-[2-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-4,5-bis(2-methylpropyl)imidazol-1-yl]ethanoate

Systemtic Name: ethyl 2-[2-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-4,5-bis(2-methylpropyl)imidazol-1-yl]ethanoate Openeye Name: ethyl 2-[2-[(2-chloro-6-fluoro-phenyl)methylsulfanyl]-4,5-diisobutyl-imidazol-1-yl]acetate CAS Name: 2-[2-[(2-chloro-6-fluorophenyl)methylthio]-4,5-bis(2-methylpropyl)-1-imidazolyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-4,5-bis(2-methylpropyl)imidazol-1-yl]acetate Traditional Name: 2-[2-[(2-chloro-6-fluoro-benzyl)thio]-4,5-diisobutyl-imidazol-1-yl]acetic acid ethyl ester Formula: C22H30ClFN2O2S MolecularWeight: 441.002203

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C(=C(N=C1SCC2=C(C=CC=C2Cl)F)CC(C)C)CC(C)C

Isomeric SMILES

CCOC(=O)CN1C(=C(N=C1SCC2=C(C=CC=C2Cl)F)CC(C)C)CC(C)C

InChI

InChI=1S/C22H30ClFN2O2S/c1-6-28-21(27)12-26-20(11-15(4)5)19(10-14(2)3)25-22(26)29-13-16-17(23)8-7-9-18(16)24/h7-9,14-15H,6,10-13H2,1-5H3