O-(phenylmethyl) 2-methyl-3-oxidanylidene-butanethioate

Systemtic Name: O-(phenylmethyl) 2-methyl-3-oxidanylidene-butanethioate Openeye Name: O-benzyl 2-methyl-3-oxo-butanethioate CAS Name: 2-methyl-3-oxobutanethioic acid O-(phenylmethyl) ester IUPAC Name: O-benzyl 2-methyl-3-oxobutanethioate Traditional Name: 3-keto-2-methyl-butanethioic acid O-benzyl ester Formula: C12H14O2S MolecularWeight: 222.30336

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14O2S/c1-9(10(2)13)12(15)14-8-11-6-4-3-5-7-11/h3-7,9H,8H2,1-2H3