(5S,6S)-5-methyl-1-oxidanylidene-6-(phenylcarbonyl)thian-3-one

Systemtic Name: (5S,6S)-5-methyl-1-oxidanylidene-6-(phenylcarbonyl)thian-3-one Openeye Name: (5S,6S)-6-benzoyl-5-methyl-1-oxo-thian-3-one CAS Name: (5S,6S)-6-benzoyl-5-methyl-1-oxo-3-thianone IUPAC Name: (5S,6S)-6-benzoyl-5-methyl-1-oxothian-3-one Traditional Name: (5S,6S)-6-benzoyl-1-keto-5-methyl-thian-3-one Formula: C13H14O3S MolecularWeight: 250.31346

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)CS(=O)C1C(=O)C2=CC=CC=C2

Isomeric SMILES

C[C@H]1CC(=O)CS(=O)[C@@H]1C(=O)C2=CC=CC=C2

InChI

InChI=1S/C13H14O3S/c1-9-7-11(14)8-17(16)13(9)12(15)10-5-3-2-4-6-10/h2-6,9,13H,7-8H2,1H3/t9-,13-,17?/m0/s1