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

Systemtic Name: (2-cyanophenyl)methyl 3-(2-chlorophenyl)sulfanylpropanoate Openeye Name: (2-cyanophenyl)methyl 3-(2-chlorophenyl)sulfanylpropanoate CAS Name: 3-[(2-chlorophenyl)thio]propanoic acid (2-cyanophenyl)methyl ester IUPAC Name: (2-cyanophenyl)methyl 3-(2-chlorophenyl)sulfanylpropanoate Traditional Name: 3-[(2-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=CC=C2Cl)C#N

Isomeric SMILES

C1=CC=C(C(=C1)COC(=O)CCSC2=CC=CC=C2Cl)C#N

InChI

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