ethyl 2-[1-(furan-2-ylmethylamino)-1-oxidanylidene-butan-2-yl]sulfanylpyridine-3-carboxylate

Systemtic Name: ethyl 2-[1-(furan-2-ylmethylamino)-1-oxidanylidene-butan-2-yl]sulfanylpyridine-3-carboxylate Openeye Name: ethyl 2-[1-(2-furylmethylcarbamoyl)propylsulfanyl]pyridine-3-carboxylate CAS Name: 2-[[1-(2-furanylmethylamino)-1-oxobutan-2-yl]thio]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[1-(furan-2-ylmethylamino)-1-oxobutan-2-yl]sulfanylpyridine-3-carboxylate Traditional Name: 2-[1-(2-furfurylcarbamoyl)propylthio]nicotinic acid ethyl ester Formula: C17H20N2O4S MolecularWeight: 348.4167

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N2O4S/c1-3-14(15(20)19-11-12-7-6-10-23-12)24-16-13(8-5-9-18-16)17(21)22-4-2/h5-10,14H,3-4,11H2,1-2H3,(H,19,20)