2-[2-[di(propan-2-yl)amino]-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylic acid

Systemtic Name: 2-[2-[di(propan-2-yl)amino]-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylic acid Openeye Name: 2-[2-(diisopropylamino)-2-oxo-ethyl]sulfanylpyridine-3-carboxylic acid CAS Name: 2-[[2-[di(propan-2-yl)amino]-2-oxoethyl]thio]-3-pyridinecarboxylic acid IUPAC Name: 2-[2-[di(propan-2-yl)amino]-2-oxoethyl]sulfanylpyridine-3-carboxylic acid Traditional Name: 2-[[2-(diisopropylamino)-2-keto-ethyl]thio]nicotinic acid Formula: C14H20N2O3S MolecularWeight: 296.3852

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20N2O3S/c1-9(2)16(10(3)4)12(17)8-20-13-11(14(18)19)6-5-7-15-13/h5-7,9-10H,8H2,1-4H3,(H,18,19)