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

Systemtic Name: pyridin-2-ylmethyl 3-cyano-2-[3-(3-ethoxyphenyl)propanoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate Openeye Name: 2-pyridylmethyl 3-cyano-2-[3-(3-ethoxyphenyl)propanoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate CAS Name: 3-cyano-2-[[3-(3-ethoxyphenyl)-1-oxopropyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylic acid 2-pyridinylmethyl ester IUPAC Name: pyridin-2-ylmethyl 3-cyano-2-[3-(3-ethoxyphenyl)propanoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate Traditional Name: 3-cyano-2-(3-m-phenetylpropanoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylic acid 2-pyridylmethyl ester Formula: C26H26N4O4S MolecularWeight: 490.57404

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)CCC(=O)NC2=C(C3=C(S2)CN(CC3)C(=O)OCC4=CC=CC=N4)C#N

Isomeric SMILES

CCOC1=CC=CC(=C1)CCC(=O)NC2=C(C3=C(S2)CN(CC3)C(=O)OCC4=CC=CC=N4)C#N

InChI

InChI=1S/C26H26N4O4S/c1-2-33-20-8-5-6-18(14-20)9-10-24(31)29-25-22(15-27)21-11-13-30(16-23(21)35-25)26(32)34-17-19-7-3-4-12-28-19/h3-8,12,14H,2,9-11,13,16-17H2,1H3,(H,29,31)