2-[1-(furan-2-ylmethylamino)-1-oxidanylidene-butan-2-yl]sulfanylpyridine-3-carboxylic acid

Systemtic Name: 2-[1-(furan-2-ylmethylamino)-1-oxidanylidene-butan-2-yl]sulfanylpyridine-3-carboxylic acid Openeye Name: 2-[1-(2-furylmethylcarbamoyl)propylsulfanyl]pyridine-3-carboxylic acid CAS Name: 2-[[1-(2-furanylmethylamino)-1-oxobutan-2-yl]thio]-3-pyridinecarboxylic acid IUPAC Name: 2-[1-(furan-2-ylmethylamino)-1-oxobutan-2-yl]sulfanylpyridine-3-carboxylic acid Traditional Name: 2-[1-(2-furfurylcarbamoyl)propylthio]nicotinic acid Formula: C15H16N2O4S MolecularWeight: 320.36354

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NCC1=CC=CO1)SC2=C(C=CC=N2)C(=O)O

Isomeric SMILES

CCC(C(=O)NCC1=CC=CO1)SC2=C(C=CC=N2)C(=O)O

InChI

InChI=1S/C15H16N2O4S/c1-2-12(13(18)17-9-10-5-4-8-21-10)22-14-11(15(19)20)6-3-7-16-14/h3-8,12H,2,9H2,1H3,(H,17,18)(H,19,20)