2-[2-(tert-butylcarbamoylamino)-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylic acid

Systemtic Name: 2-[2-(tert-butylcarbamoylamino)-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylic acid Openeye Name: 2-[2-(tert-butylcarbamoylamino)-2-oxo-ethyl]sulfanylpyridine-3-carboxylic acid CAS Name: 2-[[2-[[(tert-butylamino)-oxomethyl]amino]-2-oxoethyl]thio]-3-pyridinecarboxylic acid IUPAC Name: 2-[2-(tert-butylcarbamoylamino)-2-oxoethyl]sulfanylpyridine-3-carboxylic acid Traditional Name: 2-[[2-(tert-butylcarbamoylamino)-2-keto-ethyl]thio]nicotinic acid Formula: C13H17N3O4S MolecularWeight: 311.35678

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17N3O4S/c1-13(2,3)16-12(20)15-9(17)7-21-10-8(11(18)19)5-4-6-14-10/h4-6H,7H2,1-3H3,(H,18,19)(H2,15,16,17,20)