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

Systemtic Name: tert-butyl 3-cyano-2-[(3-methyl-2-phenyl-butanoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate Openeye Name: tert-butyl 3-cyano-2-[(3-methyl-2-phenyl-butanoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate CAS Name: 3-cyano-2-[(3-methyl-1-oxo-2-phenylbutyl)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-phenylbutanoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate Traditional Name: 3-cyano-2-[(3-methyl-2-phenyl-butanoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylic acid tert-butyl ester Formula: C24H29N3O3S MolecularWeight: 439.57036

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Descriptors Computed from Structure

Canonical SMILES:

CC(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

CC(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/C24H29N3O3S/c1-15(2)20(16-9-7-6-8-10-16)21(28)26-22-18(13-25)17-11-12-27(14-19(17)31-22)23(29)30-24(3,4)5/h6-10,15,20H,11-12,14H2,1-5H3,(H,26,28)