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

Systemtic Name: dipropan-2-yl (1R,2S)-3-oxidanylidene-4-phenylsulfanyl-cyclohex-4-ene-1,2-dicarboxylate Openeye Name: diisopropyl (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 dipropan-2-yl ester IUPAC Name: dipropan-2-yl (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 diisopropyl ester Formula: C20H24O5S MolecularWeight: 376.46656

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24O5S/c1-12(2)24-19(22)15-10-11-16(26-14-8-6-5-7-9-14)18(21)17(15)20(23)25-13(3)4/h5-9,11-13,15,17H,10H2,1-4H3/t15-,17+/m1/s1