methyl (1R,5S)-3-oxidanylidene-5-(phenylsulfanylmethyl)-9-oxabicyclo[3.3.1]nonane-2-carboxylate

Systemtic Name: methyl (1R,5S)-3-oxidanylidene-5-(phenylsulfanylmethyl)-9-oxabicyclo[3.3.1]nonane-2-carboxylate Openeye Name: methyl (1R,5S)-3-oxo-5-(phenylsulfanylmethyl)-9-oxabicyclo[3.3.1]nonane-2-carboxylate CAS Name: (1R,5S)-3-oxo-5-[(phenylthio)methyl]-9-oxabicyclo[3.3.1]nonane-2-carboxylic acid methyl ester IUPAC Name: methyl (1R,5S)-3-oxo-5-(phenylsulfanylmethyl)-9-oxabicyclo[3.3.1]nonane-2-carboxylate Traditional Name: (1R,5S)-3-keto-5-[(phenylthio)methyl]-9-oxabicyclo[3.3.1]nonane-2-carboxylic acid methyl ester Formula: C17H20O4S MolecularWeight: 320.4033

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1C2CCCC(O2)(CC1=O)CSC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1[C@H]2CCC[C@](O2)(CC1=O)CSC3=CC=CC=C3

InChI

InChI=1S/C17H20O4S/c1-20-16(19)15-13(18)10-17(9-5-8-14(15)21-17)11-22-12-6-3-2-4-7-12/h2-4,6-7,14-15H,5,8-11H2,1H3/t14-,15?,17+/m1/s1