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

Systemtic Name: 3-phenylmethoxypropyl 2-benzamido-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate Openeye Name: 3-benzyloxypropyl 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 3-phenylmethoxypropyl ester IUPAC Name: 3-phenylmethoxypropyl 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 3-benzoxypropyl ester Formula: C26H25N3O4S MolecularWeight: 475.5594

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=C1C(=C(S2)NC(=O)C3=CC=CC=C3)C#N)C(=O)OCCCOCC4=CC=CC=C4

Isomeric SMILES

C1CN(CC2=C1C(=C(S2)NC(=O)C3=CC=CC=C3)C#N)C(=O)OCCCOCC4=CC=CC=C4

InChI

InChI=1S/C26H25N3O4S/c27-16-22-21-12-13-29(26(31)33-15-7-14-32-18-19-8-3-1-4-9-19)17-23(21)34-25(22)28-24(30)20-10-5-2-6-11-20/h1-6,8-11H,7,12-15,17-18H2,(H,28,30)