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

Systemtic Name: (4R,5S)-4-(4-chlorophenyl)carbonyl-3-ethylsulfanyl-5-phenyl-cyclohex-2-en-1-one Openeye Name: (4R,5S)-4-(4-chlorobenzoyl)-3-ethylsulfanyl-5-phenyl-cyclohex-2-en-1-one CAS Name: (4R,5S)-4-[(4-chlorophenyl)-oxomethyl]-3-(ethylthio)-5-phenyl-1-cyclohex-2-enone IUPAC Name: (4R,5S)-4-(4-chlorobenzoyl)-3-ethylsulfanyl-5-phenylcyclohex-2-en-1-one Traditional Name: (4R,5S)-4-(4-chlorobenzoyl)-3-(ethylthio)-5-phenyl-cyclohex-2-en-1-one Formula: C21H19ClO2S MolecularWeight: 370.89236

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19ClO2S/c1-2-25-19-13-17(23)12-18(14-6-4-3-5-7-14)20(19)21(24)15-8-10-16(22)11-9-15/h3-11,13,18,20H,2,12H2,1H3/t18-,20+/m1/s1