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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1CCC(=O)NC2=C(C3=C(S2)CN(CC3)C(=O)OCC4=CC=NC=C4)C#N

Isomeric SMILES

CCOC1=CC=CC=C1CCC(=O)NC2=C(C3=C(S2)CN(CC3)C(=O)OCC4=CC=NC=C4)C#N

InChI

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