(phenylmethyl) 5-(sulfanylmethyl)thiolane-3-carboxylate

Systemtic Name: (phenylmethyl) 5-(sulfanylmethyl)thiolane-3-carboxylate Openeye Name: benzyl 5-(sulfanylmethyl)tetrahydrothiophene-3-carboxylate CAS Name: 5-(mercaptomethyl)-3-thiolanecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 5-(sulfanylmethyl)thiolane-3-carboxylate Traditional Name: 5-(mercaptomethyl)tetrahydrothiophene-3-carboxylic acid benzyl ester Formula: C13H16O2S2 MolecularWeight: 268.39494

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CSC1CS)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

C1C(CSC1CS)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C13H16O2S2/c14-13(11-6-12(8-16)17-9-11)15-7-10-4-2-1-3-5-10/h1-5,11-12,16H,6-9H2