(4-cyanophenyl)methyl 2-(2-methylphenyl)sulfanylethanoate

Systemtic Name: (4-cyanophenyl)methyl 2-(2-methylphenyl)sulfanylethanoate Openeye Name: (4-cyanophenyl)methyl 2-(o-tolylsulfanyl)acetate CAS Name: 2-[(2-methylphenyl)thio]acetic acid (4-cyanophenyl)methyl ester IUPAC Name: (4-cyanophenyl)methyl 2-(2-methylphenyl)sulfanylacetate Traditional Name: 2-(o-tolylthio)acetic acid (4-cyanobenzyl) ester Formula: C17H15NO2S MolecularWeight: 297.3715

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1SCC(=O)OCC2=CC=C(C=C2)C#N

Isomeric SMILES

CC1=CC=CC=C1SCC(=O)OCC2=CC=C(C=C2)C#N

InChI

InChI=1S/C17H15NO2S/c1-13-4-2-3-5-16(13)21-12-17(19)20-11-15-8-6-14(10-18)7-9-15/h2-9H,11-12H2,1H3