ethyl (2R,5S)-5-tert-butyl-3-methyl-2-phenylsulfanyl-cyclohex-3-ene-1-carboxylate

Systemtic Name: ethyl (2R,5S)-5-tert-butyl-3-methyl-2-phenylsulfanyl-cyclohex-3-ene-1-carboxylate Openeye Name: ethyl (2R,5S)-5-tert-butyl-3-methyl-2-phenylsulfanyl-cyclohex-3-ene-1-carboxylate CAS Name: (2R,5S)-5-tert-butyl-3-methyl-2-(phenylthio)-1-cyclohex-3-enecarboxylic acid ethyl ester IUPAC Name: ethyl (2R,5S)-5-tert-butyl-3-methyl-2-phenylsulfanylcyclohex-3-ene-1-carboxylate Traditional Name: (2R,5S)-5-tert-butyl-3-methyl-2-(phenylthio)cyclohex-3-ene-1-carboxylic acid ethyl ester Formula: C20H28O2S MolecularWeight: 332.50012

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC(C=C(C1SC2=CC=CC=C2)C)C(C)(C)C

Isomeric SMILES

CCOC(=O)C1C[C@@H](C=C([C@@H]1SC2=CC=CC=C2)C)C(C)(C)C

InChI

InChI=1S/C20H28O2S/c1-6-22-19(21)17-13-15(20(3,4)5)12-14(2)18(17)23-16-10-8-7-9-11-16/h7-12,15,17-18H,6,13H2,1-5H3/t15-,17?,18+/m1/s1