ethyl (2R,5R)-2-tert-butyl-4-methyl-5-phenylsulfanyl-cyclohex-3-ene-1-carboxylate

Systemtic Name: ethyl (2R,5R)-2-tert-butyl-4-methyl-5-phenylsulfanyl-cyclohex-3-ene-1-carboxylate Openeye Name: ethyl (2R,5R)-2-tert-butyl-4-methyl-5-phenylsulfanyl-cyclohex-3-ene-1-carboxylate CAS Name: (2R,5R)-2-tert-butyl-4-methyl-5-(phenylthio)-1-cyclohex-3-enecarboxylic acid ethyl ester IUPAC Name: ethyl (2R,5R)-2-tert-butyl-4-methyl-5-phenylsulfanylcyclohex-3-ene-1-carboxylate Traditional Name: (2R,5R)-2-tert-butyl-4-methyl-5-(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(=CC1C(C)(C)C)C)SC2=CC=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C20H28O2S/c1-6-22-19(21)16-13-18(23-15-10-8-7-9-11-15)14(2)12-17(16)20(3,4)5/h7-12,16-18H,6,13H2,1-5H3/t16?,17-,18-/m1/s1