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

Systemtic Name: tert-butyl 5-(phenylcarbonylsulfanylmethyl)thiolane-3-carboxylate Openeye Name: tert-butyl 5-(benzoylsulfanylmethyl)tetrahydrothiophene-3-carboxylate CAS Name: 5-[(benzoylthio)methyl]-3-thiolanecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5-(benzoylsulfanylmethyl)thiolane-3-carboxylate Traditional Name: 5-[(benzoylthio)methyl]tetrahydrothiophene-3-carboxylic acid tert-butyl ester Formula: C17H22O3S2 MolecularWeight: 338.48478

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1CC(SC1)CSC(=O)C2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)C1CC(SC1)CSC(=O)C2=CC=CC=C2

InChI

InChI=1S/C17H22O3S2/c1-17(2,3)20-15(18)13-9-14(21-10-13)11-22-16(19)12-7-5-4-6-8-12/h4-8,13-14H,9-11H2,1-3H3