ethyl (5S)-3-phenylsulfanyl-5-propanoyloxy-hexanoate

Systemtic Name: ethyl (5S)-3-phenylsulfanyl-5-propanoyloxy-hexanoate Openeye Name: ethyl (5S)-3-phenylsulfanyl-5-propanoyloxy-hexanoate CAS Name: (5S)-5-(1-oxopropoxy)-3-(phenylthio)hexanoic acid ethyl ester IUPAC Name: ethyl (5S)-3-phenylsulfanyl-5-propanoyloxyhexanoate Traditional Name: (5S)-3-(phenylthio)-5-propionyloxy-hexanoic acid ethyl ester Formula: C17H24O4S MolecularWeight: 324.43506

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OC(C)CC(CC(=O)OCC)SC1=CC=CC=C1

Isomeric SMILES

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

InChI

InChI=1S/C17H24O4S/c1-4-16(18)21-13(3)11-15(12-17(19)20-5-2)22-14-9-7-6-8-10-14/h6-10,13,15H,4-5,11-12H2,1-3H3/t13-,15?/m0/s1