tert-butyl 2-(2-oxidanylidene-4-sulfanylidene-pyridin-1-yl)ethanoate

Systemtic Name: tert-butyl 2-(2-oxidanylidene-4-sulfanylidene-pyridin-1-yl)ethanoate Openeye Name: tert-butyl 2-(2-oxo-4-thioxo-1-pyridyl)acetate CAS Name: 2-(2-oxo-4-sulfanylidene-1-pyridinyl)acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-(2-oxo-4-sulfanylidenepyridin-1-yl)acetate Traditional Name: 2-(2-keto-4-thioxo-1-pyridyl)acetic acid tert-butyl ester Formula: C11H15NO3S MolecularWeight: 241.3067

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CN1C=CC(=S)CC1=O

Isomeric SMILES

CC(C)(C)OC(=O)CN1C=CC(=S)CC1=O

InChI

InChI=1S/C11H15NO3S/c1-11(2,3)15-10(14)7-12-5-4-8(16)6-9(12)13/h4-5H,6-7H2,1-3H3