diethyl (1S,4S)-4-oxidanyl-3-oxidanylidene-8-phenylsulfanyl-2-oxabicyclo[2.2.2]octa-5,7-diene-5,6-dicarboxylate

Systemtic Name: diethyl (1S,4S)-4-oxidanyl-3-oxidanylidene-8-phenylsulfanyl-2-oxabicyclo[2.2.2]octa-5,7-diene-5,6-dicarboxylate Openeye Name: diethyl (1S,4S)-4-hydroxy-3-oxo-8-phenylsulfanyl-2-oxabicyclo[2.2.2]octa-5,7-diene-5,6-dicarboxylate CAS Name: (1S,4S)-4-hydroxy-3-oxo-8-(phenylthio)-2-oxabicyclo[2.2.2]octa-5,7-diene-5,6-dicarboxylic acid diethyl ester IUPAC Name: diethyl (1S,4S)-4-hydroxy-3-oxo-8-phenylsulfanyl-2-oxabicyclo[2.2.2]octa-5,7-diene-5,6-dicarboxylate Traditional Name: (1S,4S)-4-hydroxy-3-keto-8-(phenylthio)-2-oxabicyclo[2.2.2]octa-5,7-diene-5,6-dicarboxylic acid diethyl ester Formula: C19H18O7S MolecularWeight: 390.40702

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2(C(=CC1OC2=O)SC3=CC=CC=C3)O)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=C([C@]2(C(=C[C@@H]1OC2=O)SC3=CC=CC=C3)O)C(=O)OCC

InChI

InChI=1S/C19H18O7S/c1-3-24-16(20)14-12-10-13(27-11-8-6-5-7-9-11)19(23,18(22)26-12)15(14)17(21)25-4-2/h5-10,12,23H,3-4H2,1-2H3/t12-,19-/m0/s1