tert-butyl (2S)-2-[(2-bromanyl-1,3-thiazol-5-yl)-oxidanyl-methyl]pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl (2S)-2-[(2-bromanyl-1,3-thiazol-5-yl)-oxidanyl-methyl]pyrrolidine-1-carboxylate Openeye Name: tert-butyl (2S)-2-[(2-bromothiazol-5-yl)-hydroxy-methyl]pyrrolidine-1-carboxylate CAS Name: (2S)-2-[(2-bromo-5-thiazolyl)-hydroxymethyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-[(2-bromo-1,3-thiazol-5-yl)-hydroxymethyl]pyrrolidine-1-carboxylate Traditional Name: (2S)-2-[(2-bromothiazol-5-yl)-hydroxy-methyl]pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C13H19BrN2O3S MolecularWeight: 363.27056

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC1C(C2=CN=C(S2)Br)O

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC[C@H]1C(C2=CN=C(S2)Br)O

InChI

InChI=1S/C13H19BrN2O3S/c1-13(2,3)19-12(18)16-6-4-5-8(16)10(17)9-7-15-11(14)20-9/h7-8,10,17H,4-6H2,1-3H3/t8-,10?/m0/s1