tert-butyl 2-(4-sulfanylidenepyridin-1-yl)ethanoate

Systemtic Name: tert-butyl 2-(4-sulfanylidenepyridin-1-yl)ethanoate Openeye Name: tert-butyl 2-(4-thioxo-1-pyridyl)acetate CAS Name: 2-(4-sulfanylidene-1-pyridinyl)acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-(4-sulfanylidenepyridin-1-yl)acetate Traditional Name: 2-(4-thioxo-1-pyridyl)acetic acid tert-butyl ester Formula: C11H15NO2S MolecularWeight: 225.3073

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CN1C=CC(=S)C=C1

Isomeric SMILES

CC(C)(C)OC(=O)CN1C=CC(=S)C=C1

InChI

InChI=1S/C11H15NO2S/c1-11(2,3)14-10(13)8-12-6-4-9(15)5-7-12/h4-7H,8H2,1-3H3