methyl (1R,5S)-3-acetyloxy-5-(phenylsulfanylmethyl)-9-oxabicyclo[3.3.1]non-2-ene-2-carboxylate

Systemtic Name: methyl (1R,5S)-3-acetyloxy-5-(phenylsulfanylmethyl)-9-oxabicyclo[3.3.1]non-2-ene-2-carboxylate Openeye Name: methyl (1R,5S)-3-acetoxy-5-(phenylsulfanylmethyl)-9-oxabicyclo[3.3.1]non-2-ene-2-carboxylate CAS Name: (1R,5S)-3-acetyloxy-5-[(phenylthio)methyl]-9-oxabicyclo[3.3.1]non-2-ene-2-carboxylic acid methyl ester IUPAC Name: methyl (1R,5S)-3-acetyloxy-5-(phenylsulfanylmethyl)-9-oxabicyclo[3.3.1]non-2-ene-2-carboxylate Traditional Name: (1R,5S)-3-acetoxy-5-[(phenylthio)methyl]-9-oxabicyclo[3.3.1]non-2-ene-2-carboxylic acid methyl ester Formula: C19H22O5S MolecularWeight: 362.43998

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C2CCCC(C1)(O2)CSC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CC(=O)OC1=C([C@H]2CCC[C@@](C1)(O2)CSC3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C19H22O5S/c1-13(20)23-16-11-19(12-25-14-7-4-3-5-8-14)10-6-9-15(24-19)17(16)18(21)22-2/h3-5,7-8,15H,6,9-12H2,1-2H3/t15-,19+/m1/s1