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

Systemtic Name: (4-nitrophenyl)methyl 2-(2-hydroxyethyloxymethyl)-4-sulfanyl-pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 2-(2-hydroxyethoxymethyl)-4-sulfanyl-pyrrolidine-1-carboxylate CAS Name: 2-(2-hydroxyethoxymethyl)-4-mercapto-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-(2-hydroxyethoxymethyl)-4-sulfanylpyrrolidine-1-carboxylate Traditional Name: 2-(2-hydroxyethoxymethyl)-4-mercapto-pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C15H20N2O6S MolecularWeight: 356.3941

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1COCCO)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])S

Isomeric SMILES

C1C(CN(C1COCCO)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])S

InChI

InChI=1S/C15H20N2O6S/c18-5-6-22-10-13-7-14(24)8-16(13)15(19)23-9-11-1-3-12(4-2-11)17(20)21/h1-4,13-14,18,24H,5-10H2