(4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 2-[(2-fluorophenyl)methylsulfanyl]benzoate

Systemtic Name: (4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 2-[(2-fluorophenyl)methylsulfanyl]benzoate Openeye Name: (3-cyano-4-imino-2-oxo-pentyl) 2-[(2-fluorophenyl)methylsulfanyl]benzoate CAS Name: 2-[(2-fluorophenyl)methylthio]benzoic acid (3-cyano-4-imino-2-oxopentyl) ester IUPAC Name: (3-cyano-4-imino-2-oxopentyl) 2-[(2-fluorophenyl)methylsulfanyl]benzoate Traditional Name: 2-[(2-fluorobenzyl)thio]benzoic acid (3-cyano-4-imino-2-keto-pentyl) ester Formula: C20H17FN2O3S MolecularWeight: 384.423983

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)C(C#N)C(=O)COC(=O)C1=CC=CC=C1SCC2=CC=CC=C2F

Isomeric SMILES

CC(=N)C(C#N)C(=O)COC(=O)C1=CC=CC=C1SCC2=CC=CC=C2F

InChI

InChI=1S/C20H17FN2O3S/c1-13(23)16(10-22)18(24)11-26-20(25)15-7-3-5-9-19(15)27-12-14-6-2-4-8-17(14)21/h2-9,16,23H,11-12H2,1H3