2-ethylsulfanylethyl 3-oxidanylidene-3-phenyl-propanoate

Systemtic Name: 2-ethylsulfanylethyl 3-oxidanylidene-3-phenyl-propanoate Openeye Name: 2-ethylsulfanylethyl 3-oxo-3-phenyl-propanoate CAS Name: 3-oxo-3-phenylpropanoic acid 2-(ethylthio)ethyl ester IUPAC Name: 2-ethylsulfanylethyl 3-oxo-3-phenylpropanoate Traditional Name: 3-keto-3-phenyl-propionic acid 2-(ethylthio)ethyl ester Formula: C13H16O3S MolecularWeight: 252.32934

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCSCCOC(=O)CC(=O)C1=CC=CC=C1

Isomeric SMILES

CCSCCOC(=O)CC(=O)C1=CC=CC=C1

InChI

InChI=1S/C13H16O3S/c1-2-17-9-8-16-13(15)10-12(14)11-6-4-3-5-7-11/h3-7H,2,8-10H2,1H3