(phenylmethyl) 2-[2-(2-phenylsulfanylethanoyl)pyrrolidin-1-yl]carbonylpyrrolidine-1-carboxylate

Systemtic Name: (phenylmethyl) 2-[2-(2-phenylsulfanylethanoyl)pyrrolidin-1-yl]carbonylpyrrolidine-1-carboxylate Openeye Name: benzyl 2-[2-(2-phenylsulfanylacetyl)pyrrolidine-1-carbonyl]pyrrolidine-1-carboxylate CAS Name: 2-[oxo-[2-[1-oxo-2-(phenylthio)ethyl]-1-pyrrolidinyl]methyl]-1-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[2-(2-phenylsulfanylacetyl)pyrrolidine-1-carbonyl]pyrrolidine-1-carboxylate Traditional Name: 2-[2-[2-(phenylthio)acetyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carboxylic acid benzyl ester Formula: C25H28N2O4S MolecularWeight: 452.56582

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C2CCCN2C(=O)OCC3=CC=CC=C3)C(=O)CSC4=CC=CC=C4

Isomeric SMILES

C1CC(N(C1)C(=O)C2CCCN2C(=O)OCC3=CC=CC=C3)C(=O)CSC4=CC=CC=C4

InChI

InChI=1S/C25H28N2O4S/c28-23(18-32-20-11-5-2-6-12-20)21-13-7-15-26(21)24(29)22-14-8-16-27(22)25(30)31-17-19-9-3-1-4-10-19/h1-6,9-12,21-22H,7-8,13-18H2