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

Systemtic Name: pyridin-4-ylmethyl 3-cyano-2-[3-(3-methoxyphenyl)propanoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate Openeye Name: 4-pyridylmethyl 3-cyano-2-[3-(3-methoxyphenyl)propanoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate CAS Name: 3-cyano-2-[[3-(3-methoxyphenyl)-1-oxopropyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylic acid pyridin-4-ylmethyl ester IUPAC Name: pyridin-4-ylmethyl 3-cyano-2-[3-(3-methoxyphenyl)propanoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate Traditional Name: 3-cyano-2-[3-(3-methoxyphenyl)propanoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylic acid 4-pyridylmethyl ester Formula: C25H24N4O4S MolecularWeight: 476.54746

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CCC(=O)NC2=C(C3=C(S2)CN(CC3)C(=O)OCC4=CC=NC=C4)C#N

Isomeric SMILES

COC1=CC=CC(=C1)CCC(=O)NC2=C(C3=C(S2)CN(CC3)C(=O)OCC4=CC=NC=C4)C#N

InChI

InChI=1S/C25H24N4O4S/c1-32-19-4-2-3-17(13-19)5-6-23(30)28-24-21(14-26)20-9-12-29(15-22(20)34-24)25(31)33-16-18-7-10-27-11-8-18/h2-4,7-8,10-11,13H,5-6,9,12,15-16H2,1H3,(H,28,30)