methyl 4-[2-[[3-(4-fluorophenyl)-2-methylsulfanyl-imidazol-4-yl]carbonylamino]ethyl]benzoate

Systemtic Name: methyl 4-[2-[[3-(4-fluorophenyl)-2-methylsulfanyl-imidazol-4-yl]carbonylamino]ethyl]benzoate Openeye Name: methyl 4-[2-[[3-(4-fluorophenyl)-2-methylsulfanyl-imidazole-4-carbonyl]amino]ethyl]benzoate CAS Name: 4-[2-[[[3-(4-fluorophenyl)-2-(methylthio)-4-imidazolyl]-oxomethyl]amino]ethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-[[3-(4-fluorophenyl)-2-methylsulfanylimidazole-4-carbonyl]amino]ethyl]benzoate Traditional Name: 4-[2-[[3-(4-fluorophenyl)-2-(methylthio)imidazole-4-carbonyl]amino]ethyl]benzoic acid methyl ester Formula: C21H20FN3O3S MolecularWeight: 413.465203

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CCNC(=O)C2=CN=C(N2C3=CC=C(C=C3)F)SC

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CCNC(=O)C2=CN=C(N2C3=CC=C(C=C3)F)SC

InChI

InChI=1S/C21H20FN3O3S/c1-28-20(27)15-5-3-14(4-6-15)11-12-23-19(26)18-13-24-21(29-2)25(18)17-9-7-16(22)8-10-17/h3-10,13H,11-12H2,1-2H3,(H,23,26)