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

Systemtic Name: (4R,5S)-3-ethylsulfanyl-5-phenyl-4-(phenylcarbonyl)cyclohex-2-en-1-one Openeye Name: (4R,5S)-4-benzoyl-3-ethylsulfanyl-5-phenyl-cyclohex-2-en-1-one CAS Name: (4R,5S)-4-benzoyl-3-(ethylthio)-5-phenyl-1-cyclohex-2-enone IUPAC Name: (4R,5S)-4-benzoyl-3-ethylsulfanyl-5-phenylcyclohex-2-en-1-one Traditional Name: (4R,5S)-4-benzoyl-3-(ethylthio)-5-phenyl-cyclohex-2-en-1-one Formula: C21H20O2S MolecularWeight: 336.4473

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCSC1=CC(=O)CC(C1C(=O)C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CCSC1=CC(=O)C[C@@H]([C@@H]1C(=O)C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C21H20O2S/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/h3-12,14,18,20H,2,13H2,1H3/t18-,20+/m1/s1