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

Systemtic Name: 2-[2-[1-(furan-2-yl)ethylamino]-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylic acid Openeye Name: 2-[2-[1-(2-furyl)ethylamino]-2-oxo-ethyl]sulfanylpyridine-3-carboxylic acid CAS Name: 2-[[2-[1-(2-furanyl)ethylamino]-2-oxoethyl]thio]-3-pyridinecarboxylic acid IUPAC Name: 2-[2-[1-(furan-2-yl)ethylamino]-2-oxoethyl]sulfanylpyridine-3-carboxylic acid Traditional Name: 2-[[2-[1-(2-furyl)ethylamino]-2-keto-ethyl]thio]nicotinic acid Formula: C14H14N2O4S MolecularWeight: 306.33696

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CO1)NC(=O)CSC2=C(C=CC=N2)C(=O)O

Isomeric SMILES

CC(C1=CC=CO1)NC(=O)CSC2=C(C=CC=N2)C(=O)O

InChI

InChI=1S/C14H14N2O4S/c1-9(11-5-3-7-20-11)16-12(17)8-21-13-10(14(18)19)4-2-6-15-13/h2-7,9H,8H2,1H3,(H,16,17)(H,18,19)