tert-butyl (2S,3R)-2-ethyl-3-(2-sulfanylidenepyrrolidin-1-yl)hexanoate

Systemtic Name: tert-butyl (2S,3R)-2-ethyl-3-(2-sulfanylidenepyrrolidin-1-yl)hexanoate Openeye Name: tert-butyl (2S,3R)-2-ethyl-3-(2-thioxopyrrolidin-1-yl)hexanoate CAS Name: (2S,3R)-2-ethyl-3-(2-sulfanylidene-1-pyrrolidinyl)hexanoic acid tert-butyl ester IUPAC Name: tert-butyl (2S,3R)-2-ethyl-3-(2-sulfanylidenepyrrolidin-1-yl)hexanoate Traditional Name: (2S,3R)-2-ethyl-3-(2-thioxopyrrolidino)hexanoic acid tert-butyl ester Formula: C16H29NO2S MolecularWeight: 299.47196

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(CC)C(=O)OC(C)(C)C)N1CCCC1=S

Isomeric SMILES

CCC[C@H]([C@H](CC)C(=O)OC(C)(C)C)N1CCCC1=S

InChI

InChI=1S/C16H29NO2S/c1-6-9-13(17-11-8-10-14(17)20)12(7-2)15(18)19-16(3,4)5/h12-13H,6-11H2,1-5H3/t12-,13+/m0/s1