O-(phenylmethyl) 4-methyl-3-oxidanylidene-pentanethioate

Systemtic Name: O-(phenylmethyl) 4-methyl-3-oxidanylidene-pentanethioate Openeye Name: O-benzyl 4-methyl-3-oxo-pentanethioate CAS Name: 4-methyl-3-oxopentanethioic acid O-(phenylmethyl) ester IUPAC Name: O-benzyl 4-methyl-3-oxopentanethioate Traditional Name: 3-keto-4-methyl-pentanethioic acid O-benzyl ester Formula: C13H16O2S MolecularWeight: 236.32994

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)CC(=S)OCC1=CC=CC=C1

Isomeric SMILES

CC(C)C(=O)CC(=S)OCC1=CC=CC=C1

InChI

InChI=1S/C13H16O2S/c1-10(2)12(14)8-13(16)15-9-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3