tert-butyl 5-(propanoylsulfanylmethyl)thiolane-3-carboxylate

Systemtic Name: tert-butyl 5-(propanoylsulfanylmethyl)thiolane-3-carboxylate Openeye Name: tert-butyl 5-(propanoylsulfanylmethyl)tetrahydrothiophene-3-carboxylate CAS Name: 5-[(1-oxopropylthio)methyl]-3-thiolanecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5-(propanoylsulfanylmethyl)thiolane-3-carboxylate Traditional Name: 5-[(propionylthio)methyl]tetrahydrothiophene-3-carboxylic acid tert-butyl ester Formula: C13H22O3S2 MolecularWeight: 290.44198

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)SCC1CC(CS1)C(=O)OC(C)(C)C

Isomeric SMILES

CCC(=O)SCC1CC(CS1)C(=O)OC(C)(C)C

InChI

InChI=1S/C13H22O3S2/c1-5-11(14)18-8-10-6-9(7-17-10)12(15)16-13(2,3)4/h9-10H,5-8H2,1-4H3