2-methylpropyl 2-benzamido-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate

Systemtic Name: 2-methylpropyl 2-benzamido-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate Openeye Name: isobutyl 2-benzamido-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate CAS Name: 2-benzamido-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 2-benzamido-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate Traditional Name: 2-benzamido-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylic acid isobutyl ester Formula: C20H21N3O3S MolecularWeight: 383.46404

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O3S/c1-13(2)12-26-20(25)23-9-8-15-16(10-21)19(27-17(15)11-23)22-18(24)14-6-4-3-5-7-14/h3-7,13H,8-9,11-12H2,1-2H3,(H,22,24)