[2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethyl] 2-[(2-fluorophenyl)methylsulfanyl]benzoate

Systemtic Name: [2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethyl] 2-[(2-fluorophenyl)methylsulfanyl]benzoate Openeye Name: [2-[(1-cyanocyclopentyl)amino]-2-oxo-ethyl] 2-[(2-fluorophenyl)methylsulfanyl]benzoate CAS Name: 2-[(2-fluorophenyl)methylthio]benzoic acid [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 2-[(2-fluorophenyl)methylsulfanyl]benzoate Traditional Name: 2-[(2-fluorobenzyl)thio]benzoic acid [2-[(1-cyanocyclopentyl)amino]-2-keto-ethyl] ester Formula: C22H21FN2O3S MolecularWeight: 412.477143

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)(C#N)NC(=O)COC(=O)C2=CC=CC=C2SCC3=CC=CC=C3F

Isomeric SMILES

C1CCC(C1)(C#N)NC(=O)COC(=O)C2=CC=CC=C2SCC3=CC=CC=C3F

InChI

InChI=1S/C22H21FN2O3S/c23-18-9-3-1-7-16(18)14-29-19-10-4-2-8-17(19)21(27)28-13-20(26)25-22(15-24)11-5-6-12-22/h1-4,7-10H,5-6,11-14H2,(H,25,26)