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

Systemtic Name: 2-pyridin-4-ylethyl 3-cyano-2-[3-(3-ethoxyphenyl)propanoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate Openeye Name: 2-(4-pyridyl)ethyl 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-pyridin-4-ylethyl ester IUPAC Name: 2-pyridin-4-ylethyl 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-(4-pyridyl)ethyl ester Formula: C27H28N4O4S MolecularWeight: 504.60062

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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)OCCC4=CC=NC=C4)C#N

Isomeric SMILES

CCOC1=CC=CC(=C1)CCC(=O)NC2=C(C3=C(S2)CN(CC3)C(=O)OCCC4=CC=NC=C4)C#N

InChI

InChI=1S/C27H28N4O4S/c1-2-34-21-5-3-4-20(16-21)6-7-25(32)30-26-23(17-28)22-10-14-31(18-24(22)36-26)27(33)35-15-11-19-8-12-29-13-9-19/h3-5,8-9,12-13,16H,2,6-7,10-11,14-15,18H2,1H3,(H,30,32)