(2-oxidanylidene-2-piperidin-1-yl-ethyl) 2-(2-cyanophenyl)sulfanylbenzoate

Systemtic Name: (2-oxidanylidene-2-piperidin-1-yl-ethyl) 2-(2-cyanophenyl)sulfanylbenzoate Openeye Name: [2-oxo-2-(1-piperidyl)ethyl] 2-(2-cyanophenyl)sulfanylbenzoate CAS Name: 2-[(2-cyanophenyl)thio]benzoic acid [2-oxo-2-(1-piperidinyl)ethyl] ester IUPAC Name: (2-oxo-2-piperidin-1-ylethyl) 2-(2-cyanophenyl)sulfanylbenzoate Traditional Name: 2-[(2-cyanophenyl)thio]benzoic acid (2-keto-2-piperidino-ethyl) ester Formula: C21H20N2O3S MolecularWeight: 380.4601

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)COC(=O)C2=CC=CC=C2SC3=CC=CC=C3C#N

Isomeric SMILES

C1CCN(CC1)C(=O)COC(=O)C2=CC=CC=C2SC3=CC=CC=C3C#N

InChI

InChI=1S/C21H20N2O3S/c22-14-16-8-2-4-10-18(16)27-19-11-5-3-9-17(19)21(25)26-15-20(24)23-12-6-1-7-13-23/h2-5,8-11H,1,6-7,12-13,15H2