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

Systemtic Name: [2-(4-methylpiperidin-1-yl)-2-oxidanylidene-ethyl] 2-[(4-cyanophenyl)methylsulfanyl]benzoate Openeye Name: [2-(4-methyl-1-piperidyl)-2-oxo-ethyl] 2-[(4-cyanophenyl)methylsulfanyl]benzoate CAS Name: 2-[(4-cyanophenyl)methylthio]benzoic acid [2-(4-methyl-1-piperidinyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methylpiperidin-1-yl)-2-oxoethyl] 2-[(4-cyanophenyl)methylsulfanyl]benzoate Traditional Name: 2-[(4-cyanobenzyl)thio]benzoic acid [2-keto-2-(4-methylpiperidino)ethyl] ester Formula: C23H24N2O3S MolecularWeight: 408.51326

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=O)COC(=O)C2=CC=CC=C2SCC3=CC=C(C=C3)C#N

Isomeric SMILES

CC1CCN(CC1)C(=O)COC(=O)C2=CC=CC=C2SCC3=CC=C(C=C3)C#N

InChI

InChI=1S/C23H24N2O3S/c1-17-10-12-25(13-11-17)22(26)15-28-23(27)20-4-2-3-5-21(20)29-16-19-8-6-18(14-24)7-9-19/h2-9,17H,10-13,15-16H2,1H3