[2-oxidanylidene-2-(propan-2-ylcarbamoylamino)ethyl] 2-[(2-fluorophenyl)methylsulfanyl]benzoate

Systemtic Name: [2-oxidanylidene-2-(propan-2-ylcarbamoylamino)ethyl] 2-[(2-fluorophenyl)methylsulfanyl]benzoate Openeye Name: [2-(isopropylcarbamoylamino)-2-oxo-ethyl] 2-[(2-fluorophenyl)methylsulfanyl]benzoate CAS Name: 2-[(2-fluorophenyl)methylthio]benzoic acid [2-oxo-2-[[oxo-(propan-2-ylamino)methyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-[(2-fluorophenyl)methylsulfanyl]benzoate Traditional Name: 2-[(2-fluorobenzyl)thio]benzoic acid [2-(isopropylcarbamoylamino)-2-keto-ethyl] ester Formula: C20H21FN2O4S MolecularWeight: 404.455143

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)NC(=O)COC(=O)C1=CC=CC=C1SCC2=CC=CC=C2F

Isomeric SMILES

CC(C)NC(=O)NC(=O)COC(=O)C1=CC=CC=C1SCC2=CC=CC=C2F

InChI

InChI=1S/C20H21FN2O4S/c1-13(2)22-20(26)23-18(24)11-27-19(25)15-8-4-6-10-17(15)28-12-14-7-3-5-9-16(14)21/h3-10,13H,11-12H2,1-2H3,(H2,22,23,24,26)