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

Systemtic Name: methyl (1R,5S)-3-acetyloxy-5-(phenylsulfanylmethyl)-8-oxabicyclo[3.2.1]oct-3-ene-4-carboxylate Openeye Name: methyl (1R,5S)-3-acetoxy-5-(phenylsulfanylmethyl)-8-oxabicyclo[3.2.1]oct-3-ene-4-carboxylate CAS Name: (1R,5S)-3-acetyloxy-5-[(phenylthio)methyl]-8-oxabicyclo[3.2.1]oct-3-ene-4-carboxylic acid methyl ester IUPAC Name: methyl (1R,5S)-3-acetyloxy-5-(phenylsulfanylmethyl)-8-oxabicyclo[3.2.1]oct-3-ene-4-carboxylate Traditional Name: (1R,5S)-3-acetoxy-5-[(phenylthio)methyl]-8-oxabicyclo[3.2.1]oct-3-ene-4-carboxylic acid methyl ester Formula: C18H20O5S MolecularWeight: 348.4134

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20O5S/c1-12(19)22-15-10-13-8-9-18(23-13,16(15)17(20)21-2)11-24-14-6-4-3-5-7-14/h3-7,13H,8-11H2,1-2H3/t13-,18-/m1/s1