methyl 3-[(3-cyanophenyl)methylsulfanyl]propanoate

Systemtic Name: methyl 3-[(3-cyanophenyl)methylsulfanyl]propanoate Openeye Name: methyl 3-[(3-cyanophenyl)methylsulfanyl]propanoate CAS Name: 3-[(3-cyanophenyl)methylthio]propanoic acid methyl ester IUPAC Name: methyl 3-[(3-cyanophenyl)methylsulfanyl]propanoate Traditional Name: 3-[(3-cyanobenzyl)thio]propionic acid methyl ester Formula: C12H13NO2S MolecularWeight: 235.30212

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCSCC1=CC=CC(=C1)C#N

Isomeric SMILES

COC(=O)CCSCC1=CC=CC(=C1)C#N

InChI

InChI=1S/C12H13NO2S/c1-15-12(14)5-6-16-9-11-4-2-3-10(7-11)8-13/h2-4,7H,5-6,9H2,1H3