pyridin-3-ylmethyl 3-cyano-2-[3-(furan-2-yl)propanoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate

Systemtic Name: pyridin-3-ylmethyl 3-cyano-2-[3-(furan-2-yl)propanoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate Openeye Name: 3-pyridylmethyl 3-cyano-2-[3-(2-furyl)propanoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate CAS Name: 3-cyano-2-[[3-(2-furanyl)-1-oxopropyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylic acid 3-pyridinylmethyl ester IUPAC Name: pyridin-3-ylmethyl 3-cyano-2-[3-(furan-2-yl)propanoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate Traditional Name: 3-cyano-2-[3-(2-furyl)propanoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylic acid 3-pyridylmethyl ester Formula: C22H20N4O4S MolecularWeight: 436.4836

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=C1C(=C(S2)NC(=O)CCC3=CC=CO3)C#N)C(=O)OCC4=CN=CC=C4

Isomeric SMILES

C1CN(CC2=C1C(=C(S2)NC(=O)CCC3=CC=CO3)C#N)C(=O)OCC4=CN=CC=C4

InChI

InChI=1S/C22H20N4O4S/c23-11-18-17-7-9-26(22(28)30-14-15-3-1-8-24-12-15)13-19(17)31-21(18)25-20(27)6-5-16-4-2-10-29-16/h1-4,8,10,12H,5-7,9,13-14H2,(H,25,27)