(2R,3R)-3-[2-(4-methoxyphenyl)ethyl]-2-(phenylsulfanylmethyl)cyclohexan-1-one

Systemtic Name: (2R,3R)-3-[2-(4-methoxyphenyl)ethyl]-2-(phenylsulfanylmethyl)cyclohexan-1-one Openeye Name: (2R,3R)-3-[2-(4-methoxyphenyl)ethyl]-2-(phenylsulfanylmethyl)cyclohexanone CAS Name: (2R,3R)-3-[2-(4-methoxyphenyl)ethyl]-2-[(phenylthio)methyl]-1-cyclohexanone IUPAC Name: (2R,3R)-3-[2-(4-methoxyphenyl)ethyl]-2-(phenylsulfanylmethyl)cyclohexan-1-one Traditional Name: (2R,3R)-3-[2-(4-methoxyphenyl)ethyl]-2-[(phenylthio)methyl]cyclohexanone Formula: C22H26O2S MolecularWeight: 354.50564

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCC2CCCC(=O)C2CSC3=CC=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)CC[C@H]2CCCC(=O)[C@@H]2CSC3=CC=CC=C3

InChI

InChI=1S/C22H26O2S/c1-24-19-14-11-17(12-15-19)10-13-18-6-5-9-22(23)21(18)16-25-20-7-3-2-4-8-20/h2-4,7-8,11-12,14-15,18,21H,5-6,9-10,13,16H2,1H3/t18-,21-/m1/s1