(4-methylphenyl)methyl 5-(ethanoylsulfanylmethyl)thiolane-3-carboxylate

Systemtic Name: (4-methylphenyl)methyl 5-(ethanoylsulfanylmethyl)thiolane-3-carboxylate Openeye Name: p-tolylmethyl 5-(acetylsulfanylmethyl)tetrahydrothiophene-3-carboxylate CAS Name: 5-[(acetylthio)methyl]-3-thiolanecarboxylic acid (4-methylphenyl)methyl ester IUPAC Name: (4-methylphenyl)methyl 5-(acetylsulfanylmethyl)thiolane-3-carboxylate Traditional Name: 5-[(acetylthio)methyl]tetrahydrothiophene-3-carboxylic acid (4-methylbenzyl) ester Formula: C16H20O3S2 MolecularWeight: 324.4582

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)COC(=O)C2CC(SC2)CSC(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)COC(=O)C2CC(SC2)CSC(=O)C

InChI

InChI=1S/C16H20O3S2/c1-11-3-5-13(6-4-11)8-19-16(18)14-7-15(21-9-14)10-20-12(2)17/h3-6,14-15H,7-10H2,1-2H3