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

Systemtic Name: methyl 2-[(4-tert-butylphenyl)carbonylamino]-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O3S/c1-21(2,3)14-7-5-13(6-8-14)18(25)23-19-16(11-22)15-9-10-24(20(26)27-4)12-17(15)28-19/h5-8H,9-10,12H2,1-4H3,(H,23,25)