methyl 2-phenyl-2-(pyridin-4-ylmethylsulfanyl)ethanoate

Systemtic Name: methyl 2-phenyl-2-(pyridin-4-ylmethylsulfanyl)ethanoate Openeye Name: methyl 2-phenyl-2-(4-pyridylmethylsulfanyl)acetate CAS Name: 2-phenyl-2-(pyridin-4-ylmethylthio)acetic acid methyl ester IUPAC Name: methyl 2-phenyl-2-(pyridin-4-ylmethylsulfanyl)acetate Traditional Name: 2-phenyl-2-(4-pyridylmethylthio)acetic acid methyl ester Formula: C15H15NO2S MolecularWeight: 273.3501

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C1=CC=CC=C1)SCC2=CC=NC=C2

Isomeric SMILES

COC(=O)C(C1=CC=CC=C1)SCC2=CC=NC=C2

InChI

InChI=1S/C15H15NO2S/c1-18-15(17)14(13-5-3-2-4-6-13)19-11-12-7-9-16-10-8-12/h2-10,14H,11H2,1H3