(1R,5S)-3-(3-methylsulfonylphenyl)carbonyl-2-phenylsulfanyl-bicyclo[3.2.1]oct-2-en-4-one

Systemtic Name: (1R,5S)-3-(3-methylsulfonylphenyl)carbonyl-2-phenylsulfanyl-bicyclo[3.2.1]oct-2-en-4-one Openeye Name: (1R,5S)-3-(3-methylsulfonylbenzoyl)-2-phenylsulfanyl-bicyclo[3.2.1]oct-2-en-4-one CAS Name: (1R,5S)-3-[(3-methylsulfonylphenyl)-oxomethyl]-2-(phenylthio)-4-bicyclo[3.2.1]oct-2-enone IUPAC Name: (1R,5S)-3-(3-methylsulfonylbenzoyl)-2-phenylsulfanylbicyclo[3.2.1]oct-2-en-4-one Traditional Name: (1R,5S)-3-(3-mesylbenzoyl)-2-(phenylthio)bicyclo[3.2.1]oct-2-en-4-one Formula: C22H20O4S2 MolecularWeight: 412.5218

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC(=C1)C(=O)C2=C(C3CCC(C3)C2=O)SC4=CC=CC=C4

Isomeric SMILES

CS(=O)(=O)C1=CC=CC(=C1)C(=O)C2=C([C@@H]3CC[C@@H](C3)C2=O)SC4=CC=CC=C4

InChI

InChI=1S/C22H20O4S2/c1-28(25,26)18-9-5-6-14(13-18)20(23)19-21(24)15-10-11-16(12-15)22(19)27-17-7-3-2-4-8-17/h2-9,13,15-16H,10-12H2,1H3/t15-,16+/m0/s1