ethyl 4-[2-[3-cyano-4-(furan-2-yl)-5-(furan-2-ylmethylcarbamoyl)-6-methyl-pyridin-2-yl]sulfanylethanoylamino]benzoate

Systemtic Name: ethyl 4-[2-[3-cyano-4-(furan-2-yl)-5-(furan-2-ylmethylcarbamoyl)-6-methyl-pyridin-2-yl]sulfanylethanoylamino]benzoate Openeye Name: ethyl 4-[[2-[[3-cyano-4-(2-furyl)-5-(2-furylmethylcarbamoyl)-6-methyl-2-pyridyl]sulfanyl]acetyl]amino]benzoate CAS Name: 4-[[2-[[3-cyano-4-(2-furanyl)-5-[(2-furanylmethylamino)-oxomethyl]-6-methyl-2-pyridinyl]thio]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[3-cyano-4-(furan-2-yl)-5-(furan-2-ylmethylcarbamoyl)-6-methylpyridin-2-yl]sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[[3-cyano-5-(2-furfurylcarbamoyl)-4-(2-furyl)-6-methyl-2-pyridyl]thio]acetyl]amino]benzoic acid ethyl ester Formula: C28H24N4O6S MolecularWeight: 544.57836

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC(=C(C(=C2C#N)C3=CC=CO3)C(=O)NCC4=CC=CO4)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC(=C(C(=C2C#N)C3=CC=CO3)C(=O)NCC4=CC=CO4)C

InChI

InChI=1S/C28H24N4O6S/c1-3-36-28(35)18-8-10-19(11-9-18)32-23(33)16-39-27-21(14-29)25(22-7-5-13-38-22)24(17(2)31-27)26(34)30-15-20-6-4-12-37-20/h4-13H,3,15-16H2,1-2H3,(H,30,34)(H,32,33)