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

Systemtic Name: 2-[2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylic acid Openeye Name: 2-[2-(2-furylmethylamino)-2-oxo-ethyl]sulfanylpyridine-3-carboxylic acid CAS Name: 2-[[2-(2-furanylmethylamino)-2-oxoethyl]thio]-3-pyridinecarboxylic acid IUPAC Name: 2-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanylpyridine-3-carboxylic acid Traditional Name: 2-[[2-(2-furfurylamino)-2-keto-ethyl]thio]nicotinic acid Formula: C13H12N2O4S MolecularWeight: 292.31038

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(N=C1)SCC(=O)NCC2=CC=CO2)C(=O)O

Isomeric SMILES

C1=CC(=C(N=C1)SCC(=O)NCC2=CC=CO2)C(=O)O

InChI

InChI=1S/C13H12N2O4S/c16-11(15-7-9-3-2-6-19-9)8-20-12-10(13(17)18)4-1-5-14-12/h1-6H,7-8H2,(H,15,16)(H,17,18)