2-[2-[(2-methyl-4-oxidanylidene-pentan-3-yl)amino]-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylic acid

Systemtic Name: 2-[2-[(2-methyl-4-oxidanylidene-pentan-3-yl)amino]-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylic acid Openeye Name: 2-[2-[(1-acetyl-2-methyl-propyl)amino]-2-oxo-ethyl]sulfanylpyridine-3-carboxylic acid CAS Name: 2-[[2-[(2-methyl-4-oxopentan-3-yl)amino]-2-oxoethyl]thio]-3-pyridinecarboxylic acid IUPAC Name: 2-[2-[(2-methyl-4-oxopentan-3-yl)amino]-2-oxoethyl]sulfanylpyridine-3-carboxylic acid Traditional Name: 2-[[2-[(1-acetyl-2-methyl-propyl)amino]-2-keto-ethyl]thio]nicotinic acid Formula: C14H18N2O4S MolecularWeight: 310.36872

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N2O4S/c1-8(2)12(9(3)17)16-11(18)7-21-13-10(14(19)20)5-4-6-15-13/h4-6,8,12H,7H2,1-3H3,(H,16,18)(H,19,20)