methyl (1S,5R)-3-acetyloxy-5-(phenylsulfanylmethyl)-1-propan-2-yl-8-oxabicyclo[3.2.1]oct-3-ene-4-carboxylate

Systemtic Name: methyl (1S,5R)-3-acetyloxy-5-(phenylsulfanylmethyl)-1-propan-2-yl-8-oxabicyclo[3.2.1]oct-3-ene-4-carboxylate Openeye Name: methyl (1S,5R)-3-acetoxy-1-isopropyl-5-(phenylsulfanylmethyl)-8-oxabicyclo[3.2.1]oct-3-ene-4-carboxylate CAS Name: (1S,5R)-3-acetyloxy-5-[(phenylthio)methyl]-1-propan-2-yl-8-oxabicyclo[3.2.1]oct-3-ene-4-carboxylic acid methyl ester IUPAC Name: methyl (1S,5R)-3-acetyloxy-5-(phenylsulfanylmethyl)-1-propan-2-yl-8-oxabicyclo[3.2.1]oct-3-ene-4-carboxylate Traditional Name: (1S,5R)-3-acetoxy-1-isopropyl-5-[(phenylthio)methyl]-8-oxabicyclo[3.2.1]oct-3-ene-4-carboxylic acid methyl ester Formula: C21H26O5S MolecularWeight: 390.49314

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C12CCC(O1)(C(=C(C2)OC(=O)C)C(=O)OC)CSC3=CC=CC=C3

Isomeric SMILES

CC(C)[C@@]12CC[C@@](O1)(C(=C(C2)OC(=O)C)C(=O)OC)CSC3=CC=CC=C3

InChI

InChI=1S/C21H26O5S/c1-14(2)20-10-11-21(26-20,13-27-16-8-6-5-7-9-16)18(19(23)24-4)17(12-20)25-15(3)22/h5-9,14H,10-13H2,1-4H3/t20-,21-/m0/s1