(4-cyanophenyl)methyl 2-(2,5-dimethylphenyl)sulfanylethanoate

Systemtic Name: (4-cyanophenyl)methyl 2-(2,5-dimethylphenyl)sulfanylethanoate Openeye Name: (4-cyanophenyl)methyl 2-(2,5-dimethylphenyl)sulfanylacetate CAS Name: 2-[(2,5-dimethylphenyl)thio]acetic acid (4-cyanophenyl)methyl ester IUPAC Name: (4-cyanophenyl)methyl 2-(2,5-dimethylphenyl)sulfanylacetate Traditional Name: 2-[(2,5-dimethylphenyl)thio]acetic acid (4-cyanobenzyl) ester Formula: C18H17NO2S MolecularWeight: 311.39808

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)SCC(=O)OCC2=CC=C(C=C2)C#N

Isomeric SMILES

CC1=CC(=C(C=C1)C)SCC(=O)OCC2=CC=C(C=C2)C#N

InChI

InChI=1S/C18H17NO2S/c1-13-3-4-14(2)17(9-13)22-12-18(20)21-11-16-7-5-15(10-19)6-8-16/h3-9H,11-12H2,1-2H3