(2-oxidanylidene-3-phenylsulfanyl-propyl) 2,2-dimethylpropanoate

Systemtic Name: (2-oxidanylidene-3-phenylsulfanyl-propyl) 2,2-dimethylpropanoate Openeye Name: (2-oxo-3-phenylsulfanyl-propyl) 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [2-oxo-3-(phenylthio)propyl] ester IUPAC Name: (2-oxo-3-phenylsulfanylpropyl) 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [2-keto-3-(phenylthio)propyl] ester Formula: C14H18O3S MolecularWeight: 266.35592

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)OCC(=O)CSC1=CC=CC=C1

Isomeric SMILES

CC(C)(C)C(=O)OCC(=O)CSC1=CC=CC=C1

InChI

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