(5R,6S)-1-oxidanylidene-6-(phenylcarbonyl)-5-[(E)-prop-1-enyl]thian-3-one

Systemtic Name: (5R,6S)-1-oxidanylidene-6-(phenylcarbonyl)-5-[(E)-prop-1-enyl]thian-3-one Openeye Name: (5R,6S)-6-benzoyl-1-oxo-5-[(E)-prop-1-enyl]thian-3-one CAS Name: (5R,6S)-6-benzoyl-1-oxo-5-[(E)-prop-1-enyl]-3-thianone IUPAC Name: (5R,6S)-6-benzoyl-1-oxo-5-[(E)-prop-1-enyl]thian-3-one Traditional Name: (5R,6S)-6-benzoyl-1-keto-5-[(E)-prop-1-enyl]thian-3-one Formula: C15H16O3S MolecularWeight: 276.35074

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16O3S/c1-2-6-12-9-13(16)10-19(18)15(12)14(17)11-7-4-3-5-8-11/h2-8,12,15H,9-10H2,1H3/b6-2+/t12-,15-,19?/m0/s1