quinolin-8-yl 2-[1-(furan-2-ylmethylamino)-1-oxidanylidene-butan-2-yl]sulfanylpyridine-3-carboxylate

Systemtic Name: quinolin-8-yl 2-[1-(furan-2-ylmethylamino)-1-oxidanylidene-butan-2-yl]sulfanylpyridine-3-carboxylate Openeye Name: 8-quinolyl 2-[1-(2-furylmethylcarbamoyl)propylsulfanyl]pyridine-3-carboxylate CAS Name: 2-[[1-(2-furanylmethylamino)-1-oxobutan-2-yl]thio]-3-pyridinecarboxylic acid 8-quinolinyl ester IUPAC Name: quinolin-8-yl 2-[1-(furan-2-ylmethylamino)-1-oxobutan-2-yl]sulfanylpyridine-3-carboxylate Traditional Name: 2-[1-(2-furfurylcarbamoyl)propylthio]nicotinic acid 8-quinolyl ester Formula: C24H21N3O4S MolecularWeight: 447.50624

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NCC1=CC=CO1)SC2=C(C=CC=N2)C(=O)OC3=CC=CC4=C3N=CC=C4

Isomeric SMILES

CCC(C(=O)NCC1=CC=CO1)SC2=C(C=CC=N2)C(=O)OC3=CC=CC4=C3N=CC=C4

InChI

InChI=1S/C24H21N3O4S/c1-2-20(22(28)27-15-17-9-6-14-30-17)32-23-18(10-5-13-26-23)24(29)31-19-11-3-7-16-8-4-12-25-21(16)19/h3-14,20H,2,15H2,1H3,(H,27,28)