(phenylmethyl) (2S)-1-[4-(quinolin-2-ylsulfanylmethyl)phenyl]carbonylpyrrolidine-2-carboxylate

Systemtic Name: (phenylmethyl) (2S)-1-[4-(quinolin-2-ylsulfanylmethyl)phenyl]carbonylpyrrolidine-2-carboxylate Openeye Name: benzyl (2S)-1-[4-(2-quinolylsulfanylmethyl)benzoyl]pyrrolidine-2-carboxylate CAS Name: (2S)-1-[oxo-[4-[(2-quinolinylthio)methyl]phenyl]methyl]-2-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-1-[4-(quinolin-2-ylsulfanylmethyl)benzoyl]pyrrolidine-2-carboxylate Traditional Name: (2S)-1-[4-[(2-quinolylthio)methyl]benzoyl]pyrrolidine-2-carboxylic acid benzyl ester Formula: C29H26N2O3S MolecularWeight: 482.59334

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C2=CC=C(C=C2)CSC3=NC4=CC=CC=C4C=C3)C(=O)OCC5=CC=CC=C5

Isomeric SMILES

C1C[C@H](N(C1)C(=O)C2=CC=C(C=C2)CSC3=NC4=CC=CC=C4C=C3)C(=O)OCC5=CC=CC=C5

InChI

InChI=1S/C29H26N2O3S/c32-28(31-18-6-11-26(31)29(33)34-19-21-7-2-1-3-8-21)24-14-12-22(13-15-24)20-35-27-17-16-23-9-4-5-10-25(23)30-27/h1-5,7-10,12-17,26H,6,11,18-20H2/t26-/m0/s1