(5S,6S)-4,5-dimethyl-1-oxidanylidene-6-(phenylcarbonyl)thian-3-one

Systemtic Name: (5S,6S)-4,5-dimethyl-1-oxidanylidene-6-(phenylcarbonyl)thian-3-one Openeye Name: (5S,6S)-6-benzoyl-4,5-dimethyl-1-oxo-thian-3-one CAS Name: (5S,6S)-6-benzoyl-4,5-dimethyl-1-oxo-3-thianone IUPAC Name: (5S,6S)-6-benzoyl-4,5-dimethyl-1-oxothian-3-one Traditional Name: (5S,6S)-6-benzoyl-1-keto-4,5-dimethyl-thian-3-one Formula: C14H16O3S MolecularWeight: 264.34004

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(=O)CS(=O)C1C(=O)C2=CC=CC=C2)C

Isomeric SMILES

C[C@@H]1[C@H](S(=O)CC(=O)C1C)C(=O)C2=CC=CC=C2

InChI

InChI=1S/C14H16O3S/c1-9-10(2)14(18(17)8-12(9)15)13(16)11-6-4-3-5-7-11/h3-7,9-10,14H,8H2,1-2H3/t9?,10-,14-,18?/m0/s1