(1-cyanoindolizin-2-yl)methyl 3-(4-methylphenyl)sulfanylpropanoate

Systemtic Name: (1-cyanoindolizin-2-yl)methyl 3-(4-methylphenyl)sulfanylpropanoate Openeye Name: (1-cyanoindolizin-2-yl)methyl 3-(p-tolylsulfanyl)propanoate CAS Name: 3-[(4-methylphenyl)thio]propanoic acid (1-cyano-2-indolizinyl)methyl ester IUPAC Name: (1-cyanoindolizin-2-yl)methyl 3-(4-methylphenyl)sulfanylpropanoate Traditional Name: 3-(p-tolylthio)propionic acid (1-cyanoindolizin-2-yl)methyl ester Formula: C20H18N2O2S MolecularWeight: 350.43412

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCC(=O)OCC2=CN3C=CC=CC3=C2C#N

Isomeric SMILES

CC1=CC=C(C=C1)SCCC(=O)OCC2=CN3C=CC=CC3=C2C#N

InChI

InChI=1S/C20H18N2O2S/c1-15-5-7-17(8-6-15)25-11-9-20(23)24-14-16-13-22-10-3-2-4-19(22)18(16)12-21/h2-8,10,13H,9,11,14H2,1H3