2-[2-(azocan-1-yl)-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylic acid

Systemtic Name: 2-[2-(azocan-1-yl)-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylic acid Openeye Name: 2-[2-(azocan-1-yl)-2-oxo-ethyl]sulfanylpyridine-3-carboxylic acid CAS Name: 2-[[2-(1-azocanyl)-2-oxoethyl]thio]-3-pyridinecarboxylic acid IUPAC Name: 2-[2-(azocan-1-yl)-2-oxoethyl]sulfanylpyridine-3-carboxylic acid Traditional Name: 2-[[2-(azocan-1-yl)-2-keto-ethyl]thio]nicotinic acid Formula: C15H20N2O3S MolecularWeight: 308.3959

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CCC1)C(=O)CSC2=C(C=CC=N2)C(=O)O

Isomeric SMILES

C1CCCN(CCC1)C(=O)CSC2=C(C=CC=N2)C(=O)O

InChI

InChI=1S/C15H20N2O3S/c18-13(17-9-4-2-1-3-5-10-17)11-21-14-12(15(19)20)7-6-8-16-14/h6-8H,1-5,9-11H2,(H,19,20)