2-ethylsulfanyl-3-(3-methoxy-2-methyl-4-methylsulfonyl-phenyl)carbonyl-bicyclo[3.2.1]oct-2-en-4-one

Systemtic Name: 2-ethylsulfanyl-3-(3-methoxy-2-methyl-4-methylsulfonyl-phenyl)carbonyl-bicyclo[3.2.1]oct-2-en-4-one Openeye Name: 2-ethylsulfanyl-3-(3-methoxy-2-methyl-4-methylsulfonyl-benzoyl)bicyclo[3.2.1]oct-2-en-4-one CAS Name: 2-(ethylthio)-3-[(3-methoxy-2-methyl-4-methylsulfonylphenyl)-oxomethyl]-4-bicyclo[3.2.1]oct-2-enone IUPAC Name: 2-ethylsulfanyl-3-(3-methoxy-2-methyl-4-methylsulfonylbenzoyl)bicyclo[3.2.1]oct-2-en-4-one Traditional Name: 2-(ethylthio)-3-(4-mesyl-3-methoxy-2-methyl-benzoyl)bicyclo[3.2.1]oct-2-en-4-one Formula: C20H24O5S2 MolecularWeight: 408.53156

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=C(C(=O)C2CCC1C2)C(=O)C3=C(C(=C(C=C3)S(=O)(=O)C)OC)C

Isomeric SMILES

CCSC1=C(C(=O)C2CCC1C2)C(=O)C3=C(C(=C(C=C3)S(=O)(=O)C)OC)C

InChI

InChI=1S/C20H24O5S2/c1-5-26-20-13-7-6-12(10-13)17(21)16(20)18(22)14-8-9-15(27(4,23)24)19(25-3)11(14)2/h8-9,12-13H,5-7,10H2,1-4H3