(4R,5R)-5-cyclohexyl-3-ethylsulfanyl-4-(phenylcarbonyl)cyclohex-2-en-1-one

Systemtic Name: (4R,5R)-5-cyclohexyl-3-ethylsulfanyl-4-(phenylcarbonyl)cyclohex-2-en-1-one Openeye Name: (4R,5R)-4-benzoyl-5-cyclohexyl-3-ethylsulfanyl-cyclohex-2-en-1-one CAS Name: (4R,5R)-4-benzoyl-5-cyclohexyl-3-(ethylthio)-1-cyclohex-2-enone IUPAC Name: (4R,5R)-4-benzoyl-5-cyclohexyl-3-ethylsulfanylcyclohex-2-en-1-one Traditional Name: (4R,5R)-4-benzoyl-5-cyclohexyl-3-(ethylthio)cyclohex-2-en-1-one Formula: C21H26O2S MolecularWeight: 342.49494

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=CC(=O)CC(C1C(=O)C2=CC=CC=C2)C3CCCCC3

Isomeric SMILES

CCSC1=CC(=O)C[C@@H]([C@@H]1C(=O)C2=CC=CC=C2)C3CCCCC3

InChI

InChI=1S/C21H26O2S/c1-2-24-19-14-17(22)13-18(15-9-5-3-6-10-15)20(19)21(23)16-11-7-4-8-12-16/h4,7-8,11-12,14-15,18,20H,2-3,5-6,9-10,13H2,1H3/t18-,20+/m1/s1