methyl (1R,5S)-3-oxidanylidene-5-(phenylsulfanylmethyl)-9-oxabicyclo[3.3.1]nonane-4-carboxylate

Systemtic Name: methyl (1R,5S)-3-oxidanylidene-5-(phenylsulfanylmethyl)-9-oxabicyclo[3.3.1]nonane-4-carboxylate Openeye Name: methyl (1R,5S)-3-oxo-5-(phenylsulfanylmethyl)-9-oxabicyclo[3.3.1]nonane-4-carboxylate CAS Name: (1R,5S)-3-oxo-5-[(phenylthio)methyl]-9-oxabicyclo[3.3.1]nonane-4-carboxylic acid methyl ester IUPAC Name: methyl (1R,5S)-3-oxo-5-(phenylsulfanylmethyl)-9-oxabicyclo[3.3.1]nonane-4-carboxylate Traditional Name: (1R,5S)-3-keto-5-[(phenylthio)methyl]-9-oxabicyclo[3.3.1]nonane-4-carboxylic acid methyl ester Formula: C17H20O4S MolecularWeight: 320.4033

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1C(=O)CC2CCCC1(O2)CSC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1C(=O)C[C@H]2CCC[C@@]1(O2)CSC3=CC=CC=C3

InChI

InChI=1S/C17H20O4S/c1-20-16(19)15-14(18)10-12-6-5-9-17(15,21-12)11-22-13-7-3-2-4-8-13/h2-4,7-8,12,15H,5-6,9-11H2,1H3/t12-,15?,17-/m1/s1