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

Systemtic Name: 2-[2-(heptan-2-ylamino)-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylic acid Openeye Name: 2-[2-(1-methylhexylamino)-2-oxo-ethyl]sulfanylpyridine-3-carboxylic acid CAS Name: 2-[[2-(heptan-2-ylamino)-2-oxoethyl]thio]-3-pyridinecarboxylic acid IUPAC Name: 2-[2-(heptan-2-ylamino)-2-oxoethyl]sulfanylpyridine-3-carboxylic acid Traditional Name: 2-[[2-keto-2-(1-methylhexylamino)ethyl]thio]nicotinic acid Formula: C15H22N2O3S MolecularWeight: 310.41178

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22N2O3S/c1-3-4-5-7-11(2)17-13(18)10-21-14-12(15(19)20)8-6-9-16-14/h6,8-9,11H,3-5,7,10H2,1-2H3,(H,17,18)(H,19,20)