(4-nitrophenyl)methyl 2-(phenylmethyl)-4-sulfanyl-pyrrolidine-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 2-(phenylmethyl)-4-sulfanyl-pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 2-benzyl-4-sulfanyl-pyrrolidine-1-carboxylate CAS Name: 4-mercapto-2-(phenylmethyl)-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-benzyl-4-sulfanylpyrrolidine-1-carboxylate Traditional Name: 2-benzyl-4-mercapto-pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C19H20N2O4S MolecularWeight: 372.4381

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1CC2=CC=CC=C2)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])S

Isomeric SMILES

C1C(CN(C1CC2=CC=CC=C2)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])S

InChI

InChI=1S/C19H20N2O4S/c22-19(25-13-15-6-8-16(9-7-15)21(23)24)20-12-18(26)11-17(20)10-14-4-2-1-3-5-14/h1-9,17-18,26H,10-13H2