ethyl (4R)-3-azanyl-4-(4-butoxyphenyl)-2-cyano-6-methyl-4,7-dihydrothieno[2,3-b]pyridine-5-carboxylate

Systemtic Name: ethyl (4R)-3-azanyl-4-(4-butoxyphenyl)-2-cyano-6-methyl-4,7-dihydrothieno[2,3-b]pyridine-5-carboxylate Openeye Name: ethyl (4R)-3-amino-4-(4-butoxyphenyl)-2-cyano-6-methyl-4,7-dihydrothieno[2,3-b]pyridine-5-carboxylate CAS Name: (4R)-3-amino-4-(4-butoxyphenyl)-2-cyano-6-methyl-4,7-dihydrothieno[2,3-b]pyridine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4R)-3-amino-4-(4-butoxyphenyl)-2-cyano-6-methyl-4,7-dihydrothieno[2,3-b]pyridine-5-carboxylate Traditional Name: (4R)-3-amino-4-(4-butoxyphenyl)-2-cyano-6-methyl-4,7-dihydrothieno[2,3-b]pyridine-5-carboxylic acid ethyl ester Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C2C3=C(NC(=C2C(=O)OCC)C)SC(=C3N)C#N

Isomeric SMILES

CCCCOC1=CC=C(C=C1)[C@H]2C3=C(NC(=C2C(=O)OCC)C)SC(=C3N)C#N

InChI

InChI=1S/C22H25N3O3S/c1-4-6-11-28-15-9-7-14(8-10-15)18-17(22(26)27-5-2)13(3)25-21-19(18)20(24)16(12-23)29-21/h7-10,18,25H,4-6,11,24H2,1-3H3/t18-/m1/s1