ethyl (2S)-2-[(1S,2S)-2-(4-methylphenyl)sulfanyl-1-oxidanyl-cyclohexyl]propanoate

Systemtic Name: ethyl (2S)-2-[(1S,2S)-2-(4-methylphenyl)sulfanyl-1-oxidanyl-cyclohexyl]propanoate Openeye Name: ethyl (2S)-2-[(1S,2S)-1-hydroxy-2-(p-tolylsulfanyl)cyclohexyl]propanoate CAS Name: (2S)-2-[(1S,2S)-1-hydroxy-2-[(4-methylphenyl)thio]cyclohexyl]propanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-[(1S,2S)-1-hydroxy-2-(4-methylphenyl)sulfanylcyclohexyl]propanoate Traditional Name: (2S)-2-[(1S,2S)-1-hydroxy-2-(p-tolylthio)cyclohexyl]propionic acid ethyl ester Formula: C18H26O3S MolecularWeight: 322.46224

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)C1(CCCCC1SC2=CC=C(C=C2)C)O

Isomeric SMILES

CCOC(=O)[C@@H](C)[C@]1(CCCC[C@@H]1SC2=CC=C(C=C2)C)O

InChI

InChI=1S/C18H26O3S/c1-4-21-17(19)14(3)18(20)12-6-5-7-16(18)22-15-10-8-13(2)9-11-15/h8-11,14,16,20H,4-7,12H2,1-3H3/t14-,16+,18+/m1/s1