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

Systemtic Name: dimethyl (1R,2S)-4-(4-fluorophenyl)sulfanyl-3-oxidanylidene-cyclohex-4-ene-1,2-dicarboxylate Openeye Name: dimethyl (1R,2S)-4-(4-fluorophenyl)sulfanyl-3-oxo-cyclohex-4-ene-1,2-dicarboxylate CAS Name: (1R,2S)-4-[(4-fluorophenyl)thio]-3-oxocyclohex-4-ene-1,2-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl (1R,2S)-4-(4-fluorophenyl)sulfanyl-3-oxocyclohex-4-ene-1,2-dicarboxylate Traditional Name: (1R,2S)-4-[(4-fluorophenyl)thio]-3-keto-cyclohex-4-ene-1,2-dicarboxylic acid dimethyl ester Formula: C16H15FO5S MolecularWeight: 338.350703

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15FO5S/c1-21-15(19)11-7-8-12(14(18)13(11)16(20)22-2)23-10-5-3-9(17)4-6-10/h3-6,8,11,13H,7H2,1-2H3/t11-,13+/m1/s1