4-[2-[(2-methylpropan-2-yl)oxy]-2-oxidanylidene-1-pyridin-3-yl-ethylidene]-1,3-dithietane-2-carboxylic acid

Systemtic Name: 4-[2-[(2-methylpropan-2-yl)oxy]-2-oxidanylidene-1-pyridin-3-yl-ethylidene]-1,3-dithietane-2-carboxylic acid Openeye Name: 4-[2-tert-butoxy-2-oxo-1-(3-pyridyl)ethylidene]-1,3-dithietane-2-carboxylic acid CAS Name: 4-[2-[(2-methylpropan-2-yl)oxy]-2-oxo-1-(3-pyridinyl)ethylidene]-1,3-dithietane-2-carboxylic acid IUPAC Name: 4-[2-[(2-methylpropan-2-yl)oxy]-2-oxo-1-pyridin-3-ylethylidene]-1,3-dithietane-2-carboxylic acid Traditional Name: 4-[2-tert-butoxy-2-keto-1-(3-pyridyl)ethylidene]-1,3-dithietane-2-carboxylic acid Formula: C14H15NO4S2 MolecularWeight: 325.4032

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(=C1SC(S1)C(=O)O)C2=CN=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)C(=C1SC(S1)C(=O)O)C2=CN=CC=C2

InChI

InChI=1S/C14H15NO4S2/c1-14(2,3)19-11(18)9(8-5-4-6-15-7-8)12-20-13(21-12)10(16)17/h4-7,13H,1-3H3,(H,16,17)