2-[2-[(2-methylpropan-2-yl)oxy]-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylic acid

Systemtic Name: 2-[2-[(2-methylpropan-2-yl)oxy]-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylic acid Openeye Name: 2-(2-tert-butoxy-2-oxo-ethyl)sulfanylpyridine-3-carboxylic acid CAS Name: 2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]thio]-3-pyridinecarboxylic acid IUPAC Name: 2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]sulfanylpyridine-3-carboxylic acid Traditional Name: 2-[(2-tert-butoxy-2-keto-ethyl)thio]nicotinic acid Formula: C12H15NO4S MolecularWeight: 269.3168

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CSC1=C(C=CC=N1)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)CSC1=C(C=CC=N1)C(=O)O

InChI

InChI=1S/C12H15NO4S/c1-12(2,3)17-9(14)7-18-10-8(11(15)16)5-4-6-13-10/h4-6H,7H2,1-3H3,(H,15,16)