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

Systemtic Name: pyridin-4-ylmethyl 2-benzamido-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate Openeye Name: 4-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 pyridin-4-ylmethyl ester IUPAC Name: pyridin-4-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 4-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=CC=NC=C4

Isomeric SMILES

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

InChI

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