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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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