5-[(1-tert-butyl-2-sulfanylidene-pyridin-3-yl)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione

Systemtic Name: 5-[(1-tert-butyl-2-sulfanylidene-pyridin-3-yl)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione Openeye Name: 5-[(1-tert-butyl-2-thioxo-3-pyridyl)methylene]-2,2-dimethyl-1,3-dioxane-4,6-dione CAS Name: 5-[(1-tert-butyl-2-sulfanylidene-3-pyridinyl)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione IUPAC Name: 5-[(1-tert-butyl-2-sulfanylidenepyridin-3-yl)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione Traditional Name: 5-[(1-tert-butyl-2-thioxo-3-pyridyl)methylene]-2,2-dimethyl-1,3-dioxane-4,6-quinone Formula: C16H19NO4S MolecularWeight: 321.39136

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OC(=O)C(=CC2=CC=CN(C2=S)C(C)(C)C)C(=O)O1)C

Isomeric SMILES

CC1(OC(=O)C(=CC2=CC=CN(C2=S)C(C)(C)C)C(=O)O1)C

InChI

InChI=1S/C16H19NO4S/c1-15(2,3)17-8-6-7-10(12(17)22)9-11-13(18)20-16(4,5)21-14(11)19/h6-9H,1-5H3