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

Systemtic Name: pyridin-4-ylmethyl 3-cyano-2-[3-(3-methoxyphenyl)butanoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate Openeye Name: 4-pyridylmethyl 3-cyano-2-[3-(3-methoxyphenyl)butanoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate CAS Name: 3-cyano-2-[[3-(3-methoxyphenyl)-1-oxobutyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylic acid pyridin-4-ylmethyl ester IUPAC Name: pyridin-4-ylmethyl 3-cyano-2-[3-(3-methoxyphenyl)butanoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate Traditional Name: 3-cyano-2-[3-(3-methoxyphenyl)butanoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylic acid 4-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=NC=C3)C#N)C4=CC(=CC=C4)OC

Isomeric SMILES

CC(CC(=O)NC1=C(C2=C(S1)CN(CC2)C(=O)OCC3=CC=NC=C3)C#N)C4=CC(=CC=C4)OC

InChI

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