ethyl 2-(4-methylsulfanylphenyl)-3-oxidanylidene-3-phenyl-propanoate

Systemtic Name: ethyl 2-(4-methylsulfanylphenyl)-3-oxidanylidene-3-phenyl-propanoate Openeye Name: ethyl 2-(4-methylsulfanylphenyl)-3-oxo-3-phenyl-propanoate CAS Name: 2-[4-(methylthio)phenyl]-3-oxo-3-phenylpropanoic acid ethyl ester IUPAC Name: ethyl 2-(4-methylsulfanylphenyl)-3-oxo-3-phenylpropanoate Traditional Name: 3-keto-2-[4-(methylthio)phenyl]-3-phenyl-propionic acid ethyl ester Formula: C18H18O3S MolecularWeight: 314.39872

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1=CC=C(C=C1)SC)C(=O)C2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C(C1=CC=C(C=C1)SC)C(=O)C2=CC=CC=C2

InChI

InChI=1S/C18H18O3S/c1-3-21-18(20)16(13-9-11-15(22-2)12-10-13)17(19)14-7-5-4-6-8-14/h4-12,16H,3H2,1-2H3