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

Systemtic Name: [2-oxidanylidene-2-(propan-2-ylamino)ethyl] 2-[(2-fluorophenyl)methylsulfanyl]benzoate Openeye Name: [2-(isopropylamino)-2-oxo-ethyl] 2-[(2-fluorophenyl)methylsulfanyl]benzoate CAS Name: 2-[(2-fluorophenyl)methylthio]benzoic acid [2-oxo-2-(propan-2-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(propan-2-ylamino)ethyl] 2-[(2-fluorophenyl)methylsulfanyl]benzoate Traditional Name: 2-[(2-fluorobenzyl)thio]benzoic acid [2-(isopropylamino)-2-keto-ethyl] ester Formula: C19H20FNO3S MolecularWeight: 361.430403

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20FNO3S/c1-13(2)21-18(22)11-24-19(23)15-8-4-6-10-17(15)25-12-14-7-3-5-9-16(14)20/h3-10,13H,11-12H2,1-2H3,(H,21,22)