2-[2-[furan-2-ylmethyl(methyl)amino]-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylic acid

Systemtic Name: 2-[2-[furan-2-ylmethyl(methyl)amino]-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylic acid Openeye Name: 2-[2-[2-furylmethyl(methyl)amino]-2-oxo-ethyl]sulfanylpyridine-3-carboxylic acid CAS Name: 2-[[2-[2-furanylmethyl(methyl)amino]-2-oxoethyl]thio]-3-pyridinecarboxylic acid IUPAC Name: 2-[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]sulfanylpyridine-3-carboxylic acid Traditional Name: 2-[[2-[2-furfuryl(methyl)amino]-2-keto-ethyl]thio]nicotinic acid Formula: C14H14N2O4S MolecularWeight: 306.33696

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CO1)C(=O)CSC2=C(C=CC=N2)C(=O)O

Isomeric SMILES

CN(CC1=CC=CO1)C(=O)CSC2=C(C=CC=N2)C(=O)O

InChI

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