[2-methyl-1-(pyridin-4-ylmethylsulfanyl)propan-2-yl] ethanoate

Systemtic Name: [2-methyl-1-(pyridin-4-ylmethylsulfanyl)propan-2-yl] ethanoate Openeye Name: [1,1-dimethyl-2-(4-pyridylmethylsulfanyl)ethyl] acetate CAS Name: acetic acid [2-methyl-1-(pyridin-4-ylmethylthio)propan-2-yl] ester IUPAC Name: [2-methyl-1-(pyridin-4-ylmethylsulfanyl)propan-2-yl] acetate Traditional Name: acetic acid [1,1-dimethyl-2-(4-pyridylmethylthio)ethyl] ester Formula: C12H17NO2S MolecularWeight: 239.33388

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(C)(C)CSCC1=CC=NC=C1

Isomeric SMILES

CC(=O)OC(C)(C)CSCC1=CC=NC=C1

InChI

InChI=1S/C12H17NO2S/c1-10(14)15-12(2,3)9-16-8-11-4-6-13-7-5-11/h4-7H,8-9H2,1-3H3