1-phenylsulfanylpropyl 2-ethyl-3-oxidanylidene-butanoate

Systemtic Name: 1-phenylsulfanylpropyl 2-ethyl-3-oxidanylidene-butanoate Openeye Name: 1-phenylsulfanylpropyl 2-ethyl-3-oxo-butanoate CAS Name: 2-ethyl-3-oxobutanoic acid 1-(phenylthio)propyl ester IUPAC Name: 1-phenylsulfanylpropyl 2-ethyl-3-oxobutanoate Traditional Name: 2-ethyl-3-keto-butyric acid 1-(phenylthio)propyl ester Formula: C15H20O3S MolecularWeight: 280.3825

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20O3S/c1-4-13(11(3)16)15(17)18-14(5-2)19-12-9-7-6-8-10-12/h6-10,13-14H,4-5H2,1-3H3