(2-cyanophenyl)methyl 3-(4-chlorophenyl)sulfanylpropanoate

Systemtic Name: (2-cyanophenyl)methyl 3-(4-chlorophenyl)sulfanylpropanoate Openeye Name: (2-cyanophenyl)methyl 3-(4-chlorophenyl)sulfanylpropanoate CAS Name: 3-[(4-chlorophenyl)thio]propanoic acid (2-cyanophenyl)methyl ester IUPAC Name: (2-cyanophenyl)methyl 3-(4-chlorophenyl)sulfanylpropanoate Traditional Name: 3-[(4-chlorophenyl)thio]propionic acid (2-cyanobenzyl) ester Formula: C17H14ClNO2S MolecularWeight: 331.81656

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)COC(=O)CCSC2=CC=C(C=C2)Cl)C#N

Isomeric SMILES

C1=CC=C(C(=C1)COC(=O)CCSC2=CC=C(C=C2)Cl)C#N

InChI

InChI=1S/C17H14ClNO2S/c18-15-5-7-16(8-6-15)22-10-9-17(20)21-12-14-4-2-1-3-13(14)11-19/h1-8H,9-10,12H2