tert-butyl 5-(ethanoylsulfanylmethyl)thiolane-2-carboxylate

Systemtic Name: tert-butyl 5-(ethanoylsulfanylmethyl)thiolane-2-carboxylate Openeye Name: tert-butyl 5-(acetylsulfanylmethyl)tetrahydrothiophene-2-carboxylate CAS Name: 5-[(acetylthio)methyl]-2-thiolanecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5-(acetylsulfanylmethyl)thiolane-2-carboxylate Traditional Name: 5-[(acetylthio)methyl]tetrahydrothiophene-2-carboxylic acid tert-butyl ester Formula: C12H20O3S2 MolecularWeight: 276.4154

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC1CCC(S1)C(=O)OC(C)(C)C

Isomeric SMILES

CC(=O)SCC1CCC(S1)C(=O)OC(C)(C)C

InChI

InChI=1S/C12H20O3S2/c1-8(13)16-7-9-5-6-10(17-9)11(14)15-12(2,3)4/h9-10H,5-7H2,1-4H3