methyl (1R,5R,6S)-3-acetyloxy-5-methyl-6-phenylsulfanyl-8-oxabicyclo[3.2.1]oct-2-ene-2-carboxylate

Systemtic Name: methyl (1R,5R,6S)-3-acetyloxy-5-methyl-6-phenylsulfanyl-8-oxabicyclo[3.2.1]oct-2-ene-2-carboxylate Openeye Name: methyl (1R,5R,6S)-3-acetoxy-5-methyl-6-phenylsulfanyl-8-oxabicyclo[3.2.1]oct-2-ene-2-carboxylate CAS Name: (1R,5R,6S)-3-acetyloxy-5-methyl-6-(phenylthio)-8-oxabicyclo[3.2.1]oct-2-ene-2-carboxylic acid methyl ester IUPAC Name: methyl (1R,5R,6S)-3-acetyloxy-5-methyl-6-phenylsulfanyl-8-oxabicyclo[3.2.1]oct-2-ene-2-carboxylate Traditional Name: (1R,5R,6S)-3-acetoxy-5-methyl-6-(phenylthio)-8-oxabicyclo[3.2.1]oct-2-ene-2-carboxylic acid methyl ester Formula: C18H20O5S MolecularWeight: 348.4134

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C2CC(C(C1)(O2)C)SC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CC(=O)OC1=C([C@H]2C[C@@H]([C@@](C1)(O2)C)SC3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C18H20O5S/c1-11(19)22-14-10-18(2)15(24-12-7-5-4-6-8-12)9-13(23-18)16(14)17(20)21-3/h4-8,13,15H,9-10H2,1-3H3/t13-,15+,18-/m1/s1