methyl (1S,5R,7R)-3-acetyloxy-5-methyl-7-phenylsulfanyl-8-oxabicyclo[3.2.1]oct-2-ene-2-carboxylate

Systemtic Name: methyl (1S,5R,7R)-3-acetyloxy-5-methyl-7-phenylsulfanyl-8-oxabicyclo[3.2.1]oct-2-ene-2-carboxylate Openeye Name: methyl (1S,5R,7R)-3-acetoxy-5-methyl-7-phenylsulfanyl-8-oxabicyclo[3.2.1]oct-2-ene-2-carboxylate CAS Name: (1S,5R,7R)-3-acetyloxy-5-methyl-7-(phenylthio)-8-oxabicyclo[3.2.1]oct-2-ene-2-carboxylic acid methyl ester IUPAC Name: methyl (1S,5R,7R)-3-acetyloxy-5-methyl-7-phenylsulfanyl-8-oxabicyclo[3.2.1]oct-2-ene-2-carboxylate Traditional Name: (1S,5R,7R)-3-acetoxy-5-methyl-7-(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(C2C(CC(C1)(O2)C)SC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C18H20O5S/c1-11(19)22-13-9-18(2)10-14(24-12-7-5-4-6-8-12)16(23-18)15(13)17(20)21-3/h4-8,14,16H,9-10H2,1-3H3/t14-,16-,18-/m1/s1