2-(phenylmethylsulfanyl)ethyl 3-oxidanylidene-3-phenyl-propanoate

Systemtic Name: 2-(phenylmethylsulfanyl)ethyl 3-oxidanylidene-3-phenyl-propanoate Openeye Name: 2-benzylsulfanylethyl 3-oxo-3-phenyl-propanoate CAS Name: 3-oxo-3-phenylpropanoic acid 2-(phenylmethylthio)ethyl ester IUPAC Name: 2-benzylsulfanylethyl 3-oxo-3-phenylpropanoate Traditional Name: 3-keto-3-phenyl-propionic acid 2-(benzylthio)ethyl ester Formula: C18H18O3S MolecularWeight: 314.39872

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSCCOC(=O)CC(=O)C2=CC=CC=C2

Isomeric SMILES

C1=CC=C(C=C1)CSCCOC(=O)CC(=O)C2=CC=CC=C2

InChI

InChI=1S/C18H18O3S/c19-17(16-9-5-2-6-10-16)13-18(20)21-11-12-22-14-15-7-3-1-4-8-15/h1-10H,11-14H2