S-phenyl 2-methyl-3-oxidanylidene-pentanethioate

Systemtic Name: S-phenyl 2-methyl-3-oxidanylidene-pentanethioate Openeye Name: S-phenyl 2-methyl-3-oxo-pentanethioate CAS Name: 2-methyl-3-oxopentanethioic acid S-phenyl ester IUPAC Name: S-phenyl 2-methyl-3-oxopentanethioate Traditional Name: 3-keto-2-methyl-pentanethioic acid S-phenyl ester Formula: C12H14O2S MolecularWeight: 222.30336

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C(C)C(=O)SC1=CC=CC=C1

Isomeric SMILES

CCC(=O)C(C)C(=O)SC1=CC=CC=C1

InChI

InChI=1S/C12H14O2S/c1-3-11(13)9(2)12(14)15-10-7-5-4-6-8-10/h4-9H,3H2,1-2H3