(2S)-2-[5-[(2,4-dichlorophenyl)methylthio]-1,3,4-oxadiazol-2-yl]-1-pyrrolidinecarboxylic acid tert-butyl ester (Q27209693)

SMR000046413 (English)

11 October 2016

chemical formula

C₁₈H₂₁Cl₂N₃O₃S

1 reference

SMR000046413 (English)

11 October 2016

canonical SMILES

CC(C)(C)OC(=O)N1CCCC1C2=NN=C(O2)SCC3=C(C=C(C=C3)Cl)Cl

1 reference

SMR000046413 (English)

11 October 2016

isomeric SMILES

CC(C)(C)OC(=O)N1CCC[C@H]1C2=NN=C(O2)SCC3=C(C=C(C=C3)Cl)Cl

1 reference

SMR000046413 (English)

InChI=1S/C18H21Cl2N3O3S/c1-18(2,3)26-17(24)23-8-4-5-14(23)15-21-22-16(25-15)27-10-11-6-7-12(19)9-13(11)20/h6-7,9,14H,4-5,8,10H2,1-3H3/t14-/m0/s1

11 October 2016

Identifiers

InChI

1 reference

SMR000046413 (English)

JDZKHMFWSIVDHP-AWEZNQCLSA-N

11 October 2016

InChIKey

2 references

SMR000046413 (English)

11 October 2016

stated in

ChEBI release 2020-09-01

1 reference

tert-Butyl (2S)-2-{5-[(2,4-dichlorobenzyl)sulfanyl]-1,3,4-oxadiazol-2-yl}pyrrolidine-1-carboxylate (English)

11 October 2016

1 reference

SMR000046413 (English)

11 October 2016

ChEBI ID

121193

mapping relation type

1 reference

(2S)-2-[5-[(2,4-dichlorophenyl)methylthio]-1,3,4-oxadiazol-2-yl]-1-pyrrolidinecarboxylic acid tert-butyl ester (English)

11 October 2016

1 reference