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

Systemtic Name: (2-oxidanylidene-2-pyrrolidin-1-yl-ethyl) 2-[(4-cyanophenyl)methylsulfanyl]benzoate Openeye Name: (2-oxo-2-pyrrolidin-1-yl-ethyl) 2-[(4-cyanophenyl)methylsulfanyl]benzoate CAS Name: 2-[(4-cyanophenyl)methylthio]benzoic acid [2-oxo-2-(1-pyrrolidinyl)ethyl] ester IUPAC Name: (2-oxo-2-pyrrolidin-1-ylethyl) 2-[(4-cyanophenyl)methylsulfanyl]benzoate Traditional Name: 2-[(4-cyanobenzyl)thio]benzoic acid (2-keto-2-pyrrolidino-ethyl) ester Formula: C21H20N2O3S MolecularWeight: 380.4601

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)COC(=O)C2=CC=CC=C2SCC3=CC=C(C=C3)C#N

Isomeric SMILES

C1CCN(C1)C(=O)COC(=O)C2=CC=CC=C2SCC3=CC=C(C=C3)C#N

InChI

InChI=1S/C21H20N2O3S/c22-13-16-7-9-17(10-8-16)15-27-19-6-2-1-5-18(19)21(25)26-14-20(24)23-11-3-4-12-23/h1-2,5-10H,3-4,11-12,14-15H2