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

Systemtic Name: 3-(2-chloranyl-3-methoxy-4-methylsulfonyl-phenyl)carbonyl-2-ethylsulfanyl-bicyclo[3.2.1]oct-2-en-4-one Openeye Name: 3-(2-chloro-3-methoxy-4-methylsulfonyl-benzoyl)-2-ethylsulfanyl-bicyclo[3.2.1]oct-2-en-4-one CAS Name: 3-[(2-chloro-3-methoxy-4-methylsulfonylphenyl)-oxomethyl]-2-(ethylthio)-4-bicyclo[3.2.1]oct-2-enone IUPAC Name: 3-(2-chloro-3-methoxy-4-methylsulfonylbenzoyl)-2-ethylsulfanylbicyclo[3.2.1]oct-2-en-4-one Traditional Name: 3-(2-chloro-4-mesyl-3-methoxy-benzoyl)-2-(ethylthio)bicyclo[3.2.1]oct-2-en-4-one Formula: C19H21ClO5S2 MolecularWeight: 428.95004

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C19H21ClO5S2/c1-4-26-19-11-6-5-10(9-11)16(21)14(19)17(22)12-7-8-13(27(3,23)24)18(25-2)15(12)20/h7-8,10-11H,4-6,9H2,1-3H3