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

Systemtic Name: (4R,5S)-3-ethylsulfanyl-4-(4-methylphenyl)carbonyl-5-phenyl-cyclohex-2-en-1-one Openeye Name: (4R,5S)-3-ethylsulfanyl-4-(4-methylbenzoyl)-5-phenyl-cyclohex-2-en-1-one CAS Name: (4R,5S)-3-(ethylthio)-4-[(4-methylphenyl)-oxomethyl]-5-phenyl-1-cyclohex-2-enone IUPAC Name: (4R,5S)-3-ethylsulfanyl-4-(4-methylbenzoyl)-5-phenylcyclohex-2-en-1-one Traditional Name: (4R,5S)-3-(ethylthio)-5-phenyl-4-p-toluoyl-cyclohex-2-en-1-one Formula: C22H22O2S MolecularWeight: 350.47388

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22O2S/c1-3-25-20-14-18(23)13-19(16-7-5-4-6-8-16)21(20)22(24)17-11-9-15(2)10-12-17/h4-12,14,19,21H,3,13H2,1-2H3/t19-,21+/m1/s1