ethyl 2-(2-cyanoethanoylamino)-6-(phenylmethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate

Systemtic Name: ethyl 2-(2-cyanoethanoylamino)-6-(phenylmethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate Openeye Name: ethyl 6-benzyl-2-[(2-cyanoacetyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate CAS Name: 2-[(2-cyano-1-oxoethyl)amino]-6-(phenylmethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-benzyl-2-[(2-cyanoacetyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate Traditional Name: 6-benzyl-2-[(2-cyanoacetyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid ethyl ester Formula: C20H21N3O3S MolecularWeight: 383.46404

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCN(C2)CC3=CC=CC=C3)NC(=O)CC#N

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCN(C2)CC3=CC=CC=C3)NC(=O)CC#N

InChI

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