2-[4-(diethylamino)-4-oxidanylidene-butyl]sulfanylpyridine-3-carboxylic acid

Systemtic Name: 2-[4-(diethylamino)-4-oxidanylidene-butyl]sulfanylpyridine-3-carboxylic acid Openeye Name: 2-[4-(diethylamino)-4-oxo-butyl]sulfanylpyridine-3-carboxylic acid CAS Name: 2-[[4-(diethylamino)-4-oxobutyl]thio]-3-pyridinecarboxylic acid IUPAC Name: 2-[4-(diethylamino)-4-oxobutyl]sulfanylpyridine-3-carboxylic acid Traditional Name: 2-[[4-(diethylamino)-4-keto-butyl]thio]nicotinic acid Formula: C14H20N2O3S MolecularWeight: 296.3852

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)CCCSC1=C(C=CC=N1)C(=O)O

Isomeric SMILES

CCN(CC)C(=O)CCCSC1=C(C=CC=N1)C(=O)O

InChI

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