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

Systemtic Name: 2-pyridin-3-ylethyl 3-cyano-2-(3-phenylbutanoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate Openeye Name: 2-(3-pyridyl)ethyl 3-cyano-2-(3-phenylbutanoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate CAS Name: 3-cyano-2-[(1-oxo-3-phenylbutyl)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-phenylbutanoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate Traditional Name: 3-cyano-2-(3-phenylbutanoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylic acid 2-(3-pyridyl)ethyl ester Formula: C26H26N4O3S MolecularWeight: 474.57464

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)NC1=C(C2=C(S1)CN(CC2)C(=O)OCCC3=CN=CC=C3)C#N)C4=CC=CC=C4

Isomeric SMILES

CC(CC(=O)NC1=C(C2=C(S1)CN(CC2)C(=O)OCCC3=CN=CC=C3)C#N)C4=CC=CC=C4

InChI

InChI=1S/C26H26N4O3S/c1-18(20-7-3-2-4-8-20)14-24(31)29-25-22(15-27)21-9-12-30(17-23(21)34-25)26(32)33-13-10-19-6-5-11-28-16-19/h2-8,11,16,18H,9-10,12-14,17H2,1H3,(H,29,31)