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

Systemtic Name: propan-2-yl 2-[1-(furan-2-ylmethylamino)-1-oxidanylidene-butan-2-yl]sulfanylpyridine-3-carboxylate Openeye Name: isopropyl 2-[1-(2-furylmethylcarbamoyl)propylsulfanyl]pyridine-3-carboxylate CAS Name: 2-[[1-(2-furanylmethylamino)-1-oxobutan-2-yl]thio]-3-pyridinecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[1-(furan-2-ylmethylamino)-1-oxobutan-2-yl]sulfanylpyridine-3-carboxylate Traditional Name: 2-[1-(2-furfurylcarbamoyl)propylthio]nicotinic acid isopropyl ester Formula: C18H22N2O4S MolecularWeight: 362.44328

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N2O4S/c1-4-15(16(21)20-11-13-7-6-10-23-13)25-17-14(8-5-9-19-17)18(22)24-12(2)3/h5-10,12,15H,4,11H2,1-3H3,(H,20,21)