(2-cyanophenyl)methyl 3-(3,4-dimethylphenyl)sulfanylpropanoate

Systemtic Name: (2-cyanophenyl)methyl 3-(3,4-dimethylphenyl)sulfanylpropanoate Openeye Name: (2-cyanophenyl)methyl 3-(3,4-dimethylphenyl)sulfanylpropanoate CAS Name: 3-[(3,4-dimethylphenyl)thio]propanoic acid (2-cyanophenyl)methyl ester IUPAC Name: (2-cyanophenyl)methyl 3-(3,4-dimethylphenyl)sulfanylpropanoate Traditional Name: 3-[(3,4-dimethylphenyl)thio]propionic acid (2-cyanobenzyl) ester Formula: C19H19NO2S MolecularWeight: 325.42466

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19NO2S/c1-14-7-8-18(11-15(14)2)23-10-9-19(21)22-13-17-6-4-3-5-16(17)12-20/h3-8,11H,9-10,13H2,1-2H3