(2-oxidanylidene-2-piperidin-1-yl-ethyl) 2-[(4-cyanophenyl)methylsulfanyl]benzoate

Systemtic Name: (2-oxidanylidene-2-piperidin-1-yl-ethyl) 2-[(4-cyanophenyl)methylsulfanyl]benzoate Openeye Name: [2-oxo-2-(1-piperidyl)ethyl] 2-[(4-cyanophenyl)methylsulfanyl]benzoate CAS Name: 2-[(4-cyanophenyl)methylthio]benzoic acid [2-oxo-2-(1-piperidinyl)ethyl] ester IUPAC Name: (2-oxo-2-piperidin-1-ylethyl) 2-[(4-cyanophenyl)methylsulfanyl]benzoate Traditional Name: 2-[(4-cyanobenzyl)thio]benzoic acid (2-keto-2-piperidino-ethyl) ester Formula: C22H22N2O3S MolecularWeight: 394.48668

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)COC(=O)C2=CC=CC=C2SCC3=CC=C(C=C3)C#N

Isomeric SMILES

C1CCN(CC1)C(=O)COC(=O)C2=CC=CC=C2SCC3=CC=C(C=C3)C#N

InChI

InChI=1S/C22H22N2O3S/c23-14-17-8-10-18(11-9-17)16-28-20-7-3-2-6-19(20)22(26)27-15-21(25)24-12-4-1-5-13-24/h2-3,6-11H,1,4-5,12-13,15-16H2