[(2S,3R)-2-(4-methylphenyl)sulfanyloxan-3-yl] butanoate

Systemtic Name: [(2S,3R)-2-(4-methylphenyl)sulfanyloxan-3-yl] butanoate Openeye Name: [(2S,3R)-2-(p-tolylsulfanyl)tetrahydropyran-3-yl] butanoate CAS Name: butanoic acid [(2S,3R)-2-[(4-methylphenyl)thio]-3-oxanyl] ester IUPAC Name: [(2S,3R)-2-(4-methylphenyl)sulfanyloxan-3-yl] butanoate Traditional Name: butyric acid [(2S,3R)-2-(p-tolylthio)tetrahydropyran-3-yl] ester Formula: C16H22O3S MolecularWeight: 294.40908

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OC1CCCOC1SC2=CC=C(C=C2)C

Isomeric SMILES

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

InChI

InChI=1S/C16H22O3S/c1-3-5-15(17)19-14-6-4-11-18-16(14)20-13-9-7-12(2)8-10-13/h7-10,14,16H,3-6,11H2,1-2H3/t14-,16+/m1/s1