tert-butyl 5-[(4-methylphenyl)methylsulfanylmethyl]thiolane-3-carboxylate

Systemtic Name: tert-butyl 5-[(4-methylphenyl)methylsulfanylmethyl]thiolane-3-carboxylate Openeye Name: tert-butyl 5-(p-tolylmethylsulfanylmethyl)tetrahydrothiophene-3-carboxylate CAS Name: 5-[[(4-methylphenyl)methylthio]methyl]-3-thiolanecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5-[(4-methylphenyl)methylsulfanylmethyl]thiolane-3-carboxylate Traditional Name: 5-[[(4-methylbenzyl)thio]methyl]tetrahydrothiophene-3-carboxylic acid tert-butyl ester Formula: C18H26O2S2 MolecularWeight: 338.52784

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSCC2CC(CS2)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)CSCC2CC(CS2)C(=O)OC(C)(C)C

InChI

InChI=1S/C18H26O2S2/c1-13-5-7-14(8-6-13)10-21-12-16-9-15(11-22-16)17(19)20-18(2,3)4/h5-8,15-16H,9-12H2,1-4H3