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

Systemtic Name: tert-butyl 2-methylsulfanyl-4,5-dihydro-1,3-thiazol-3-ium-3-carboxylate iodide Openeye Name: tert-butyl 2-methylsulfanyl-4,5-dihydrothiazol-3-ium-3-carboxylate iodide CAS Name: 2-(methylthio)-4,5-dihydrothiazol-3-ium-3-carboxylic acid tert-butyl ester iodide IUPAC Name: tert-butyl 2-methylsulfanyl-4,5-dihydro-1,3-thiazol-3-ium-3-carboxylate iodide Traditional Name: 2-(methylthio)-2-thiazolin-3-ium-3-carboxylic acid tert-butyl ester iodide Formula: C9H16INO2S2 MolecularWeight: 361.26331

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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