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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1=CC=C(C=C1)NC(=O)C2=CN=C(N2C3=CC=C(C=C3)F)SC

Isomeric SMILES

CC(C)OC(=O)C1=CC=C(C=C1)NC(=O)C2=CN=C(N2C3=CC=C(C=C3)F)SC

InChI

InChI=1S/C21H20FN3O3S/c1-13(2)28-20(27)14-4-8-16(9-5-14)24-19(26)18-12-23-21(29-3)25(18)17-10-6-15(22)7-11-17/h4-13H,1-3H3,(H,24,26)