[(2R)-1-oxidanylidenepentan-2-yl] 2-phenylsulfanylpropanoate

Systemtic Name: [(2R)-1-oxidanylidenepentan-2-yl] 2-phenylsulfanylpropanoate Openeye Name: [(1R)-1-formylbutyl] 2-phenylsulfanylpropanoate CAS Name: 2-(phenylthio)propanoic acid [(2R)-1-oxopentan-2-yl] ester IUPAC Name: [(2R)-1-oxopentan-2-yl] 2-phenylsulfanylpropanoate Traditional Name: 2-(phenylthio)propionic acid [(1R)-1-formylbutyl] ester Formula: C14H18O3S MolecularWeight: 266.35592

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18O3S/c1-3-7-12(10-15)17-14(16)11(2)18-13-8-5-4-6-9-13/h4-6,8-12H,3,7H2,1-2H3/t11?,12-/m1/s1