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

Systemtic Name: 2-(2-oxidanylidenepyrrolidin-1-yl)ethyl 2-[1-(furan-2-ylmethylamino)-1-oxidanylidene-butan-2-yl]sulfanylpyridine-3-carboxylate Openeye Name: 2-(2-oxopyrrolidin-1-yl)ethyl 2-[1-(2-furylmethylcarbamoyl)propylsulfanyl]pyridine-3-carboxylate CAS Name: 2-[[1-(2-furanylmethylamino)-1-oxobutan-2-yl]thio]-3-pyridinecarboxylic acid 2-(2-oxo-1-pyrrolidinyl)ethyl ester IUPAC Name: 2-(2-oxopyrrolidin-1-yl)ethyl 2-[1-(furan-2-ylmethylamino)-1-oxobutan-2-yl]sulfanylpyridine-3-carboxylate Traditional Name: 2-[1-(2-furfurylcarbamoyl)propylthio]nicotinic acid 2-(2-ketopyrrolidino)ethyl ester Formula: C21H25N3O5S MolecularWeight: 431.5053

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NCC1=CC=CO1)SC2=C(C=CC=N2)C(=O)OCCN3CCCC3=O

Isomeric SMILES

CCC(C(=O)NCC1=CC=CO1)SC2=C(C=CC=N2)C(=O)OCCN3CCCC3=O

InChI

InChI=1S/C21H25N3O5S/c1-2-17(19(26)23-14-15-6-5-12-28-15)30-20-16(7-3-9-22-20)21(27)29-13-11-24-10-4-8-18(24)25/h3,5-7,9,12,17H,2,4,8,10-11,13-14H2,1H3,(H,23,26)