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

Systemtic Name: tert-butyl 2-methylsulfanyl-4,5-dihydro-1,3-thiazol-3-ium-3-carboxylate Openeye Name: tert-butyl 2-methylsulfanyl-4,5-dihydrothiazol-3-ium-3-carboxylate CAS Name: 2-(methylthio)-4,5-dihydrothiazol-3-ium-3-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-methylsulfanyl-4,5-dihydro-1,3-thiazol-3-ium-3-carboxylate Traditional Name: 2-(methylthio)-2-thiazolin-3-ium-3-carboxylic acid tert-butyl ester Formula: C9H16NO2S2+ MolecularWeight: 234.35884

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)[N+]1=C(SCC1)SC

Isomeric SMILES

CC(C)(C)OC(=O)[N+]1=C(SCC1)SC

InChI

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