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

Systemtic Name: pentyl 2-benzamido-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate Openeye Name: pentyl 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 pentyl ester IUPAC Name: pentyl 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 amyl ester Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O3S/c1-2-3-7-12-27-21(26)24-11-10-16-17(13-22)20(28-18(16)14-24)23-19(25)15-8-5-4-6-9-15/h4-6,8-9H,2-3,7,10-12,14H2,1H3,(H,23,25)