ethyl (3S,4R)-3-oxidanyl-4-phenylsulfanyl-heptanoate

Systemtic Name: ethyl (3S,4R)-3-oxidanyl-4-phenylsulfanyl-heptanoate Openeye Name: ethyl (3S,4R)-3-hydroxy-4-phenylsulfanyl-heptanoate CAS Name: (3S,4R)-3-hydroxy-4-(phenylthio)heptanoic acid ethyl ester IUPAC Name: ethyl (3S,4R)-3-hydroxy-4-phenylsulfanylheptanoate Traditional Name: (3S,4R)-3-hydroxy-4-(phenylthio)enanthic acid ethyl ester Formula: C15H22O3S MolecularWeight: 282.39838

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(CC(=O)OCC)O)SC1=CC=CC=C1

Isomeric SMILES

CCC[C@H]([C@H](CC(=O)OCC)O)SC1=CC=CC=C1

InChI

InChI=1S/C15H22O3S/c1-3-8-14(13(16)11-15(17)18-4-2)19-12-9-6-5-7-10-12/h5-7,9-10,13-14,16H,3-4,8,11H2,1-2H3/t13-,14+/m0/s1