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

Systemtic Name: methyl 2-phenyl-2-(2-pyridin-4-ylethylsulfanyl)ethanoate Openeye Name: methyl 2-phenyl-2-[2-(4-pyridyl)ethylsulfanyl]acetate CAS Name: 2-phenyl-2-(2-pyridin-4-ylethylthio)acetic acid methyl ester IUPAC Name: methyl 2-phenyl-2-(2-pyridin-4-ylethylsulfanyl)acetate Traditional Name: 2-phenyl-2-[2-(4-pyridyl)ethylthio]acetic acid methyl ester Formula: C16H17NO2S MolecularWeight: 287.37668

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C1=CC=CC=C1)SCCC2=CC=NC=C2

Isomeric SMILES

COC(=O)C(C1=CC=CC=C1)SCCC2=CC=NC=C2

InChI

InChI=1S/C16H17NO2S/c1-19-16(18)15(14-5-3-2-4-6-14)20-12-9-13-7-10-17-11-8-13/h2-8,10-11,15H,9,12H2,1H3