S-tert-butyl 2-oxidanylidene-2-pyridin-2-yl-ethanethioate

Systemtic Name: S-tert-butyl 2-oxidanylidene-2-pyridin-2-yl-ethanethioate Openeye Name: S-tert-butyl 2-oxo-2-(2-pyridyl)ethanethioate CAS Name: 2-oxo-2-(2-pyridinyl)ethanethioic acid S-tert-butyl ester IUPAC Name: S-tert-butyl 2-oxo-2-pyridin-2-ylethanethioate Traditional Name: 2-keto-2-(2-pyridyl)ethanethioic acid S-tert-butyl ester Formula: C11H13NO2S MolecularWeight: 223.29142

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)SC(=O)C(=O)C1=CC=CC=N1

Isomeric SMILES

CC(C)(C)SC(=O)C(=O)C1=CC=CC=N1

InChI

InChI=1S/C11H13NO2S/c1-11(2,3)15-10(14)9(13)8-6-4-5-7-12-8/h4-7H,1-3H3