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

Systemtic Name: 2-pyridin-3-ylethyl 3-cyano-2-[3-(3-methoxyphenyl)propanoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate Openeye Name: 2-(3-pyridyl)ethyl 3-cyano-2-[3-(3-methoxyphenyl)propanoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate CAS Name: 3-cyano-2-[[3-(3-methoxyphenyl)-1-oxopropyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylic acid 2-(3-pyridinyl)ethyl ester IUPAC Name: 2-pyridin-3-ylethyl 3-cyano-2-[3-(3-methoxyphenyl)propanoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate Traditional Name: 3-cyano-2-[3-(3-methoxyphenyl)propanoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylic acid 2-(3-pyridyl)ethyl ester Formula: C26H26N4O4S MolecularWeight: 490.57404

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CCC(=O)NC2=C(C3=C(S2)CN(CC3)C(=O)OCCC4=CN=CC=C4)C#N

Isomeric SMILES

COC1=CC=CC(=C1)CCC(=O)NC2=C(C3=C(S2)CN(CC3)C(=O)OCCC4=CN=CC=C4)C#N

InChI

InChI=1S/C26H26N4O4S/c1-33-20-6-2-4-18(14-20)7-8-24(31)29-25-22(15-27)21-9-12-30(17-23(21)35-25)26(32)34-13-10-19-5-3-11-28-16-19/h2-6,11,14,16H,7-10,12-13,17H2,1H3,(H,29,31)