(4-nitrophenyl)methyl 2-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-methyl-4-sulfanyl-pyrrolidine-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 2-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-methyl-4-sulfanyl-pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 2-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-methyl-4-sulfanyl-pyrrolidine-1-carboxylate CAS Name: 2-[2-(hydroxymethyl)-1-pyrrolidinyl]-4-mercapto-2-methyl-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-methyl-4-sulfanylpyrrolidine-1-carboxylate Traditional Name: 4-mercapto-2-methyl-2-(2-methylolpyrrolidino)pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C18H25N3O5S MolecularWeight: 395.4732

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(CN1C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])S)N3CCCC3CO

Isomeric SMILES

CC1(CC(CN1C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])S)N3CCCC3CO

InChI

InChI=1S/C18H25N3O5S/c1-18(19-8-2-3-15(19)11-22)9-16(27)10-20(18)17(23)26-12-13-4-6-14(7-5-13)21(24)25/h4-7,15-16,22,27H,2-3,8-12H2,1H3