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

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

COC(=O)C1C2CCC(O2)(CC1=O)CSC3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C16H18O4S/c1-19-15(18)14-12(17)9-16(8-7-13(14)20-16)10-21-11-5-3-2-4-6-11/h2-6,13-14H,7-10H2,1H3/t13-,14?,16+/m1/s1