methyl 2-(pyridin-4-ylmethylsulfanyl)ethanoate

Systemtic Name: methyl 2-(pyridin-4-ylmethylsulfanyl)ethanoate Openeye Name: methyl 2-(4-pyridylmethylsulfanyl)acetate CAS Name: 2-(pyridin-4-ylmethylthio)acetic acid methyl ester IUPAC Name: methyl 2-(pyridin-4-ylmethylsulfanyl)acetate Traditional Name: 2-(4-pyridylmethylthio)acetic acid methyl ester Formula: C9H11NO2S MolecularWeight: 197.25414

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSCC1=CC=NC=C1

Isomeric SMILES

COC(=O)CSCC1=CC=NC=C1

InChI

InChI=1S/C9H11NO2S/c1-12-9(11)7-13-6-8-2-4-10-5-3-8/h2-5H,6-7H2,1H3