methyl (1R,5S)-3-oxidanylidene-5-(phenylsulfanylmethyl)-8-oxabicyclo[3.2.1]octane-4-carboxylate

Systemtic Name: methyl (1R,5S)-3-oxidanylidene-5-(phenylsulfanylmethyl)-8-oxabicyclo[3.2.1]octane-4-carboxylate Openeye Name: methyl (1R,5S)-3-oxo-5-(phenylsulfanylmethyl)-8-oxabicyclo[3.2.1]octane-4-carboxylate CAS Name: (1R,5S)-3-oxo-5-[(phenylthio)methyl]-8-oxabicyclo[3.2.1]octane-4-carboxylic acid methyl ester IUPAC Name: methyl (1R,5S)-3-oxo-5-(phenylsulfanylmethyl)-8-oxabicyclo[3.2.1]octane-4-carboxylate Traditional Name: (1R,5S)-3-keto-5-[(phenylthio)methyl]-8-oxabicyclo[3.2.1]octane-4-carboxylic acid methyl ester Formula: C16H18O4S MolecularWeight: 306.37672

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1C(=O)CC2CCC1(O2)CSC3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C16H18O4S/c1-19-15(18)14-13(17)9-11-7-8-16(14,20-11)10-21-12-5-3-2-4-6-12/h2-6,11,14H,7-10H2,1H3/t11-,14?,16-/m1/s1