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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC)C(=O)CSC1=C(C=CC=N1)C(=O)O

Isomeric SMILES

CCCN(CCC)C(=O)CSC1=C(C=CC=N1)C(=O)O

InChI

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