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

Systemtic Name: 3-(2-chloranyl-3-methoxy-4-methylsulfonyl-phenyl)carbonyl-2-phenylsulfanyl-bicyclo[3.2.1]oct-2-en-4-one Openeye Name: 3-(2-chloro-3-methoxy-4-methylsulfonyl-benzoyl)-2-phenylsulfanyl-bicyclo[3.2.1]oct-2-en-4-one CAS Name: 3-[(2-chloro-3-methoxy-4-methylsulfonylphenyl)-oxomethyl]-2-(phenylthio)-4-bicyclo[3.2.1]oct-2-enone IUPAC Name: 3-(2-chloro-3-methoxy-4-methylsulfonylbenzoyl)-2-phenylsulfanylbicyclo[3.2.1]oct-2-en-4-one Traditional Name: 3-(2-chloro-4-mesyl-3-methoxy-benzoyl)-2-(phenylthio)bicyclo[3.2.1]oct-2-en-4-one Formula: C23H21ClO5S2 MolecularWeight: 476.99284

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1Cl)C(=O)C2=C(C3CCC(C3)C2=O)SC4=CC=CC=C4)S(=O)(=O)C

Isomeric SMILES

COC1=C(C=CC(=C1Cl)C(=O)C2=C(C3CCC(C3)C2=O)SC4=CC=CC=C4)S(=O)(=O)C

InChI

InChI=1S/C23H21ClO5S2/c1-29-22-17(31(2,27)28)11-10-16(19(22)24)21(26)18-20(25)13-8-9-14(12-13)23(18)30-15-6-4-3-5-7-15/h3-7,10-11,13-14H,8-9,12H2,1-2H3