[2-(2-methylpropylcarbamoylamino)-2-oxidanylidene-ethyl] 2-[(2-fluorophenyl)methylsulfanyl]benzoate

Systemtic Name: [2-(2-methylpropylcarbamoylamino)-2-oxidanylidene-ethyl] 2-[(2-fluorophenyl)methylsulfanyl]benzoate Openeye Name: [2-(isobutylcarbamoylamino)-2-oxo-ethyl] 2-[(2-fluorophenyl)methylsulfanyl]benzoate CAS Name: 2-[(2-fluorophenyl)methylthio]benzoic acid [2-[[(2-methylpropylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 2-[(2-fluorophenyl)methylsulfanyl]benzoate Traditional Name: 2-[(2-fluorobenzyl)thio]benzoic acid [2-(isobutylcarbamoylamino)-2-keto-ethyl] ester Formula: C21H23FN2O4S MolecularWeight: 418.481723

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23FN2O4S/c1-14(2)11-23-21(27)24-19(25)12-28-20(26)16-8-4-6-10-18(16)29-13-15-7-3-5-9-17(15)22/h3-10,14H,11-13H2,1-2H3,(H2,23,24,25,27)