tert-butyl 5-(2-phenylethanoylsulfanylmethyl)thiolane-3-carboxylate

Systemtic Name: tert-butyl 5-(2-phenylethanoylsulfanylmethyl)thiolane-3-carboxylate Openeye Name: tert-butyl 5-[(2-phenylacetyl)sulfanylmethyl]tetrahydrothiophene-3-carboxylate CAS Name: 5-[[(1-oxo-2-phenylethyl)thio]methyl]-3-thiolanecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5-[(2-phenylacetyl)sulfanylmethyl]thiolane-3-carboxylate Traditional Name: 5-[[(2-phenylacetyl)thio]methyl]tetrahydrothiophene-3-carboxylic acid tert-butyl ester Formula: C18H24O3S2 MolecularWeight: 352.51136

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1CC(SC1)CSC(=O)CC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)C1CC(SC1)CSC(=O)CC2=CC=CC=C2

InChI

InChI=1S/C18H24O3S2/c1-18(2,3)21-17(20)14-10-15(22-11-14)12-23-16(19)9-13-7-5-4-6-8-13/h4-8,14-15H,9-12H2,1-3H3