tert-butyl (2S)-2-(4-nitrophenyl)sulfanylcarbonylpyrrolidine-1-carboxylate

Systemtic Name: tert-butyl (2S)-2-(4-nitrophenyl)sulfanylcarbonylpyrrolidine-1-carboxylate Openeye Name: tert-butyl (2S)-2-(4-nitrophenyl)sulfanylcarbonylpyrrolidine-1-carboxylate CAS Name: (2S)-2-[[(4-nitrophenyl)thio]-oxomethyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-(4-nitrophenyl)sulfanylcarbonylpyrrolidine-1-carboxylate Traditional Name: (2S)-2-[(4-nitrophenyl)thio]carbonylpyrrolidine-1-carboxylic acid tert-butyl ester Formula: C16H20N2O5S MolecularWeight: 352.4054

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC1C(=O)SC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)SC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H20N2O5S/c1-16(2,3)23-15(20)17-10-4-5-13(17)14(19)24-12-8-6-11(7-9-12)18(21)22/h6-9,13H,4-5,10H2,1-3H3/t13-/m0/s1