dimethyl (1R,2S)-3-oxidanylidene-4-phenylsulfanyl-cyclohex-4-ene-1,2-dicarboxylate

Systemtic Name: dimethyl (1R,2S)-3-oxidanylidene-4-phenylsulfanyl-cyclohex-4-ene-1,2-dicarboxylate Openeye Name: dimethyl (1R,2S)-3-oxo-4-phenylsulfanyl-cyclohex-4-ene-1,2-dicarboxylate CAS Name: (1R,2S)-3-oxo-4-(phenylthio)cyclohex-4-ene-1,2-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl (1R,2S)-3-oxo-4-phenylsulfanylcyclohex-4-ene-1,2-dicarboxylate Traditional Name: (1R,2S)-3-keto-4-(phenylthio)cyclohex-4-ene-1,2-dicarboxylic acid dimethyl ester Formula: C16H16O5S MolecularWeight: 320.36024

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC=C(C(=O)C1C(=O)OC)SC2=CC=CC=C2

Isomeric SMILES

COC(=O)[C@@H]1CC=C(C(=O)[C@H]1C(=O)OC)SC2=CC=CC=C2

InChI

InChI=1S/C16H16O5S/c1-20-15(18)11-8-9-12(14(17)13(11)16(19)21-2)22-10-6-4-3-5-7-10/h3-7,9,11,13H,8H2,1-2H3/t11-,13+/m1/s1