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

Systemtic Name: [2-oxidanylidene-2-(2-oxidanylidenepyrrolidin-1-yl)ethyl] 2-[(4-cyanophenyl)methylsulfanyl]benzoate Openeye Name: [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2-[(4-cyanophenyl)methylsulfanyl]benzoate CAS Name: 2-[(4-cyanophenyl)methylthio]benzoic acid [2-oxo-2-(2-oxo-1-pyrrolidinyl)ethyl] ester IUPAC Name: [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2-[(4-cyanophenyl)methylsulfanyl]benzoate Traditional Name: 2-[(4-cyanobenzyl)thio]benzoic acid [2-keto-2-(2-ketopyrrolidino)ethyl] ester Formula: C21H18N2O4S MolecularWeight: 394.44362

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1)C(=O)COC(=O)C2=CC=CC=C2SCC3=CC=C(C=C3)C#N

Isomeric SMILES

C1CC(=O)N(C1)C(=O)COC(=O)C2=CC=CC=C2SCC3=CC=C(C=C3)C#N

InChI

InChI=1S/C21H18N2O4S/c22-12-15-7-9-16(10-8-15)14-28-18-5-2-1-4-17(18)21(26)27-13-20(25)23-11-3-6-19(23)24/h1-2,4-5,7-10H,3,6,11,13-14H2