tert-butyl 3-cyano-2-[(3-methyl-2-phenyl-pentanoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate

Systemtic Name: tert-butyl 3-cyano-2-[(3-methyl-2-phenyl-pentanoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate Openeye Name: tert-butyl 3-cyano-2-[(3-methyl-2-phenyl-pentanoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate CAS Name: 3-cyano-2-[(3-methyl-1-oxo-2-phenylpentyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-cyano-2-[(3-methyl-2-phenylpentanoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate Traditional Name: 3-cyano-2-[(3-methyl-2-phenyl-pentanoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylic acid tert-butyl ester Formula: C25H31N3O3S MolecularWeight: 453.59694

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C1=CC=CC=C1)C(=O)NC2=C(C3=C(S2)CN(CC3)C(=O)OC(C)(C)C)C#N

Isomeric SMILES

CCC(C)C(C1=CC=CC=C1)C(=O)NC2=C(C3=C(S2)CN(CC3)C(=O)OC(C)(C)C)C#N

InChI

InChI=1S/C25H31N3O3S/c1-6-16(2)21(17-10-8-7-9-11-17)22(29)27-23-19(14-26)18-12-13-28(15-20(18)32-23)24(30)31-25(3,4)5/h7-11,16,21H,6,12-13,15H2,1-5H3,(H,27,29)