methyl (1R,5S)-3-acetyloxy-5-(phenylsulfanylmethyl)-9-oxabicyclo[3.3.1]non-3-ene-4-carboxylate

Systemtic Name: methyl (1R,5S)-3-acetyloxy-5-(phenylsulfanylmethyl)-9-oxabicyclo[3.3.1]non-3-ene-4-carboxylate Openeye Name: methyl (1R,5S)-3-acetoxy-5-(phenylsulfanylmethyl)-9-oxabicyclo[3.3.1]non-3-ene-4-carboxylate CAS Name: (1R,5S)-3-acetyloxy-5-[(phenylthio)methyl]-9-oxabicyclo[3.3.1]non-3-ene-4-carboxylic acid methyl ester IUPAC Name: methyl (1R,5S)-3-acetyloxy-5-(phenylsulfanylmethyl)-9-oxabicyclo[3.3.1]non-3-ene-4-carboxylate Traditional Name: (1R,5S)-3-acetoxy-5-[(phenylthio)methyl]-9-oxabicyclo[3.3.1]non-3-ene-4-carboxylic acid methyl ester Formula: C19H22O5S MolecularWeight: 362.43998

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C2(CCCC(C1)O2)CSC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C19H22O5S/c1-13(20)23-16-11-14-7-6-10-19(24-14,17(16)18(21)22-2)12-25-15-8-4-3-5-9-15/h3-5,8-9,14H,6-7,10-12H2,1-2H3/t14-,19-/m1/s1