[(1R,7R)-2-oxidanylidene-7-phenylsulfanyl-5-bicyclo[4.3.1]dec-5-enyl]methyl 2-bromanylethanoate

Systemtic Name: [(1R,7R)-2-oxidanylidene-7-phenylsulfanyl-5-bicyclo[4.3.1]dec-5-enyl]methyl 2-bromanylethanoate Openeye Name: [(1R,7R)-2-oxo-7-phenylsulfanyl-5-bicyclo[4.3.1]dec-5-enyl]methyl 2-bromoacetate CAS Name: 2-bromoacetic acid [(1R,7R)-2-oxo-7-(phenylthio)-5-bicyclo[4.3.1]dec-5-enyl]methyl ester IUPAC Name: [(1R,7R)-2-oxo-7-phenylsulfanyl-5-bicyclo[4.3.1]dec-5-enyl]methyl 2-bromoacetate Traditional Name: 2-bromoacetic acid [(1R,7R)-2-keto-7-(phenylthio)-5-bicyclo[4.3.1]dec-5-enyl]methyl ester Formula: C19H21BrO3S MolecularWeight: 409.33724

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C2=C(CCC(=O)C1C2)COC(=O)CBr)SC3=CC=CC=C3

Isomeric SMILES

C1C[C@H](C2=C(CCC(=O)[C@H]1C2)COC(=O)CBr)SC3=CC=CC=C3

InChI

InChI=1S/C19H21BrO3S/c20-11-19(22)23-12-14-6-8-17(21)13-7-9-18(16(14)10-13)24-15-4-2-1-3-5-15/h1-5,13,18H,6-12H2/t13-,18-/m1/s1