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

Systemtic Name: pyridin-3-ylmethyl 3-cyano-2-[3-(3-ethoxyphenyl)butanoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate Openeye Name: 3-pyridylmethyl 3-cyano-2-[3-(3-ethoxyphenyl)butanoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate CAS Name: 3-cyano-2-[[3-(3-ethoxyphenyl)-1-oxobutyl]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-(3-ethoxyphenyl)butanoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate Traditional Name: 3-cyano-2-(3-m-phenetylbutanoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylic acid 3-pyridylmethyl ester Formula: C27H28N4O4S MolecularWeight: 504.60062

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)C(C)CC(=O)NC2=C(C3=C(S2)CN(CC3)C(=O)OCC4=CN=CC=C4)C#N

Isomeric SMILES

CCOC1=CC=CC(=C1)C(C)CC(=O)NC2=C(C3=C(S2)CN(CC3)C(=O)OCC4=CN=CC=C4)C#N

InChI

InChI=1S/C27H28N4O4S/c1-3-34-21-8-4-7-20(13-21)18(2)12-25(32)30-26-23(14-28)22-9-11-31(16-24(22)36-26)27(33)35-17-19-6-5-10-29-15-19/h4-8,10,13,15,18H,3,9,11-12,16-17H2,1-2H3,(H,30,32)