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

Systemtic Name: dimethyl (1S,4S)-8-naphthalen-2-ylsulfanyl-4-oxidanyl-3-oxidanylidene-2-oxabicyclo[2.2.2]octa-5,7-diene-5,6-dicarboxylate Openeye Name: dimethyl (1S,4S)-4-hydroxy-8-(2-naphthylsulfanyl)-3-oxo-2-oxabicyclo[2.2.2]octa-5,7-diene-5,6-dicarboxylate CAS Name: (1S,4S)-4-hydroxy-8-(2-naphthalenylthio)-3-oxo-2-oxabicyclo[2.2.2]octa-5,7-diene-5,6-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl (1S,4S)-4-hydroxy-8-naphthalen-2-ylsulfanyl-3-oxo-2-oxabicyclo[2.2.2]octa-5,7-diene-5,6-dicarboxylate Traditional Name: (1S,4S)-4-hydroxy-3-keto-8-(2-naphthylthio)-2-oxabicyclo[2.2.2]octa-5,7-diene-5,6-dicarboxylic acid dimethyl ester Formula: C21H16O7S MolecularWeight: 412.41254

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2(C(=CC1OC2=O)SC3=CC4=CC=CC=C4C=C3)O)C(=O)OC

Isomeric SMILES

COC(=O)C1=C([C@]2(C(=C[C@@H]1OC2=O)SC3=CC4=CC=CC=C4C=C3)O)C(=O)OC

InChI

InChI=1S/C21H16O7S/c1-26-18(22)16-14-10-15(21(25,20(24)28-14)17(16)19(23)27-2)29-13-8-7-11-5-3-4-6-12(11)9-13/h3-10,14,25H,1-2H3/t14-,21-/m0/s1