tert-butyl 3-cyano-2-(2-ethylbutanoylamino)-5,6-dihydro-4H-thieno[2,3-b]pyridine-7-carboxylate

Systemtic Name: tert-butyl 3-cyano-2-(2-ethylbutanoylamino)-5,6-dihydro-4H-thieno[2,3-b]pyridine-7-carboxylate Openeye Name: tert-butyl 3-cyano-2-(2-ethylbutanoylamino)-5,6-dihydro-4H-thieno[2,3-b]pyridine-7-carboxylate CAS Name: 3-cyano-2-[(2-ethyl-1-oxobutyl)amino]-5,6-dihydro-4H-thieno[2,3-b]pyridine-7-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-cyano-2-(2-ethylbutanoylamino)-5,6-dihydro-4H-thieno[2,3-b]pyridine-7-carboxylate Traditional Name: 3-cyano-2-(2-ethylbutanoylamino)-5,6-dihydro-4H-thieno[2,3-b]pyridine-7-carboxylic acid tert-butyl ester Formula: C19H27N3O3S MolecularWeight: 377.50098

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C(=O)NC1=C(C2=C(S1)N(CCC2)C(=O)OC(C)(C)C)C#N

Isomeric SMILES

CCC(CC)C(=O)NC1=C(C2=C(S1)N(CCC2)C(=O)OC(C)(C)C)C#N

InChI

InChI=1S/C19H27N3O3S/c1-6-12(7-2)15(23)21-16-14(11-20)13-9-8-10-22(17(13)26-16)18(24)25-19(3,4)5/h12H,6-10H2,1-5H3,(H,21,23)