methyl (1R,5R,6S)-5-methyl-3-oxidanylidene-6-phenylsulfanyl-8-oxabicyclo[3.2.1]octane-2-carboxylate

Systemtic Name: methyl (1R,5R,6S)-5-methyl-3-oxidanylidene-6-phenylsulfanyl-8-oxabicyclo[3.2.1]octane-2-carboxylate Openeye Name: methyl (1R,5R,6S)-5-methyl-3-oxo-6-phenylsulfanyl-8-oxabicyclo[3.2.1]octane-2-carboxylate CAS Name: (1R,5R,6S)-5-methyl-3-oxo-6-(phenylthio)-8-oxabicyclo[3.2.1]octane-2-carboxylic acid methyl ester IUPAC Name: methyl (1R,5R,6S)-5-methyl-3-oxo-6-phenylsulfanyl-8-oxabicyclo[3.2.1]octane-2-carboxylate Traditional Name: (1R,5R,6S)-3-keto-5-methyl-6-(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(=O)C(C(O1)CC2SC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

C[C@]12CC(=O)C([C@H](O1)C[C@@H]2SC3=CC=CC=C3)C(=O)OC

InChI

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