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

Systemtic Name: (4-nitrophenyl)methyl 2-(2-aminocarbonyloxyethoxymethyl)-4-sulfanyl-pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 2-(2-carbamoyloxyethoxymethyl)-4-sulfanyl-pyrrolidine-1-carboxylate CAS Name: 2-(2-carbamoyloxyethoxymethyl)-4-mercapto-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-(2-carbamoyloxyethoxymethyl)-4-sulfanylpyrrolidine-1-carboxylate Traditional Name: 2-(2-carbamoyloxyethoxymethyl)-4-mercapto-pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C16H21N3O7S MolecularWeight: 399.41884

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1COCCOC(=O)N)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])S

Isomeric SMILES

C1C(CN(C1COCCOC(=O)N)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])S

InChI

InChI=1S/C16H21N3O7S/c17-15(20)25-6-5-24-10-13-7-14(27)8-18(13)16(21)26-9-11-1-3-12(4-2-11)19(22)23/h1-4,13-14,27H,5-10H2,(H2,17,20)