2-[2-(2-methylbutan-2-ylamino)-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylic acid

Systemtic Name: 2-[2-(2-methylbutan-2-ylamino)-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylic acid Openeye Name: 2-[2-(1,1-dimethylpropylamino)-2-oxo-ethyl]sulfanylpyridine-3-carboxylic acid CAS Name: 2-[[2-(2-methylbutan-2-ylamino)-2-oxoethyl]thio]-3-pyridinecarboxylic acid IUPAC Name: 2-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]sulfanylpyridine-3-carboxylic acid Traditional Name: 2-[[2-(tert-amylamino)-2-keto-ethyl]thio]nicotinic acid Formula: C13H18N2O3S MolecularWeight: 282.35862

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18N2O3S/c1-4-13(2,3)15-10(16)8-19-11-9(12(17)18)6-5-7-14-11/h5-7H,4,8H2,1-3H3,(H,15,16)(H,17,18)