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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C2CCC(C1)(O2)CSC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C18H20O5S/c1-12(19)22-15-10-18(11-24-13-6-4-3-5-7-13)9-8-14(23-18)16(15)17(20)21-2/h3-7,14H,8-11H2,1-2H3/t14-,18+/m1/s1