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

Systemtic Name: (4-nitrophenyl)methyl 2-(phenoxymethyl)-4-sulfanyl-pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 2-(phenoxymethyl)-4-sulfanyl-pyrrolidine-1-carboxylate CAS Name: 4-mercapto-2-(phenoxymethyl)-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-(phenoxymethyl)-4-sulfanylpyrrolidine-1-carboxylate Traditional Name: 4-mercapto-2-(phenoxymethyl)pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C19H20N2O5S MolecularWeight: 388.4375

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1COC2=CC=CC=C2)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])S

Isomeric SMILES

C1C(CN(C1COC2=CC=CC=C2)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])S

InChI

InChI=1S/C19H20N2O5S/c22-19(26-12-14-6-8-15(9-7-14)21(23)24)20-11-18(27)10-16(20)13-25-17-4-2-1-3-5-17/h1-9,16,18,27H,10-13H2