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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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