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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)NC1=C(C2=C(S1)CN(CC2)C(=O)OCC3=CC=CC=N3)C#N)C4=CC=CC=C4OC

Isomeric SMILES

CC(CC(=O)NC1=C(C2=C(S1)CN(CC2)C(=O)OCC3=CC=CC=N3)C#N)C4=CC=CC=C4OC

InChI

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