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

Systemtic Name: pyridin-2-ylmethyl 3-cyano-2-[3-(3-ethoxyphenyl)butanoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate Openeye Name: 2-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 2-pyridinylmethyl ester IUPAC Name: pyridin-2-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 2-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=CC=CC=N4)C#N

Isomeric SMILES

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

InChI

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