2-[2-[(2-cyano-3-methyl-butan-2-yl)amino]-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylic acid

Systemtic Name: 2-[2-[(2-cyano-3-methyl-butan-2-yl)amino]-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylic acid Openeye Name: 2-[2-[(1-cyano-1,2-dimethyl-propyl)amino]-2-oxo-ethyl]sulfanylpyridine-3-carboxylic acid CAS Name: 2-[[2-[(2-cyano-3-methylbutan-2-yl)amino]-2-oxoethyl]thio]-3-pyridinecarboxylic acid IUPAC Name: 2-[2-[(2-cyano-3-methylbutan-2-yl)amino]-2-oxoethyl]sulfanylpyridine-3-carboxylic acid Traditional Name: 2-[[2-[(1-cyano-1,2-dimethyl-propyl)amino]-2-keto-ethyl]thio]nicotinic acid Formula: C14H17N3O3S MolecularWeight: 307.36808

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17N3O3S/c1-9(2)14(3,8-15)17-11(18)7-21-12-10(13(19)20)5-4-6-16-12/h4-6,9H,7H2,1-3H3,(H,17,18)(H,19,20)