methyl (1S,5R,7R)-5-methyl-3-oxidanylidene-7-phenylsulfanyl-8-oxabicyclo[3.2.1]octane-2-carboxylate

Systemtic Name: methyl (1S,5R,7R)-5-methyl-3-oxidanylidene-7-phenylsulfanyl-8-oxabicyclo[3.2.1]octane-2-carboxylate Openeye Name: methyl (1S,5R,7R)-5-methyl-3-oxo-7-phenylsulfanyl-8-oxabicyclo[3.2.1]octane-2-carboxylate CAS Name: (1S,5R,7R)-5-methyl-3-oxo-7-(phenylthio)-8-oxabicyclo[3.2.1]octane-2-carboxylic acid methyl ester IUPAC Name: methyl (1S,5R,7R)-5-methyl-3-oxo-7-phenylsulfanyl-8-oxabicyclo[3.2.1]octane-2-carboxylate Traditional Name: (1S,5R,7R)-3-keto-5-methyl-7-(phenylthio)-8-oxabicyclo[3.2.1]octane-2-carboxylic acid methyl ester Formula: C16H18O4S MolecularWeight: 306.37672

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Descriptors Computed from Structure

Canonical SMILES:

CC12CC(C(O1)C(C(=O)C2)C(=O)OC)SC3=CC=CC=C3

Isomeric SMILES

C[C@@]12C[C@H]([C@@H](O1)C(C(=O)C2)C(=O)OC)SC3=CC=CC=C3

InChI

InChI=1S/C16H18O4S/c1-16-8-11(17)13(15(18)19-2)14(20-16)12(9-16)21-10-6-4-3-5-7-10/h3-7,12-14H,8-9H2,1-2H3/t12-,13?,14-,16-/m1/s1