tert-butyl 2-methylsulfanyl-4,5-dihydro-1,3-thiazol-3-ium-3-carboxylate tetrafluoroborate

Systemtic Name: tert-butyl 2-methylsulfanyl-4,5-dihydro-1,3-thiazol-3-ium-3-carboxylate tetrafluoroborate Openeye Name: tert-butyl 2-methylsulfanyl-4,5-dihydrothiazol-3-ium-3-carboxylate tetrafluoroborate CAS Name: 2-(methylthio)-4,5-dihydrothiazol-3-ium-3-carboxylic acid tert-butyl ester tetrafluoroborate IUPAC Name: tert-butyl 2-methylsulfanyl-4,5-dihydro-1,3-thiazol-3-ium-3-carboxylate tetrafluoroborate Traditional Name: 2-(methylthio)-2-thiazolin-3-ium-3-carboxylic acid tert-butyl ester tetrafluoroborate Formula: C9H16BF4NO2S2 MolecularWeight: 321.163453

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Descriptors Computed from Structure

Canonical SMILES:

[B-](F)(F)(F)F.CC(C)(C)OC(=O)[N+]1=C(SCC1)SC

Isomeric SMILES

[B-](F)(F)(F)F.CC(C)(C)OC(=O)[N+]1=C(SCC1)SC

InChI

InChI=1S/C9H16NO2S2.BF4/c1-9(2,3)12-7(11)10-5-6-14-8(10)13-4;2-1(3,4)5/h5-6H2,1-4H3;/q+1;-1