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

Systemtic Name: pyridin-3-ylmethyl 2-benzamido-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate Openeye Name: 3-pyridylmethyl 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-pyridinylmethyl ester IUPAC Name: pyridin-3-ylmethyl 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-pyridylmethyl ester Formula: C22H18N4O3S MolecularWeight: 418.46832

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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)OCC4=CN=CC=C4

Isomeric SMILES

C1CN(CC2=C1C(=C(S2)NC(=O)C3=CC=CC=C3)C#N)C(=O)OCC4=CN=CC=C4

InChI

InChI=1S/C22H18N4O3S/c23-11-18-17-8-10-26(22(28)29-14-15-5-4-9-24-12-15)13-19(17)30-21(18)25-20(27)16-6-2-1-3-7-16/h1-7,9,12H,8,10,13-14H2,(H,25,27)