ethyl 2-[(4-tert-butylphenyl)carbonylamino]-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate

Systemtic Name: ethyl 2-[(4-tert-butylphenyl)carbonylamino]-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate Openeye Name: ethyl 2-[(4-tert-butylbenzoyl)amino]-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate CAS Name: 2-[[(4-tert-butylphenyl)-oxomethyl]amino]-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(4-tert-butylbenzoyl)amino]-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate Traditional Name: 2-[(4-tert-butylbenzoyl)amino]-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylic acid ethyl ester Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC2=C(C1)SC(=C2C#N)NC(=O)C3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CCOC(=O)N1CCC2=C(C1)SC(=C2C#N)NC(=O)C3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C22H25N3O3S/c1-5-28-21(27)25-11-10-16-17(12-23)20(29-18(16)13-25)24-19(26)14-6-8-15(9-7-14)22(2,3)4/h6-9H,5,10-11,13H2,1-4H3,(H,24,26)