2-phenylmethoxyethyl 3-cyano-2-(3-phenylpropanoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate

Systemtic Name: 2-phenylmethoxyethyl 3-cyano-2-(3-phenylpropanoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate Openeye Name: 2-benzyloxyethyl 3-cyano-2-(3-phenylpropanoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate CAS Name: 3-cyano-2-[(1-oxo-3-phenylpropyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylic acid 2-phenylmethoxyethyl ester IUPAC Name: 2-phenylmethoxyethyl 3-cyano-2-(3-phenylpropanoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate Traditional Name: 3-cyano-2-(hydrocinnamoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylic acid 2-benzoxyethyl ester Formula: C27H27N3O4S MolecularWeight: 489.58598

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=C1C(=C(S2)NC(=O)CCC3=CC=CC=C3)C#N)C(=O)OCCOCC4=CC=CC=C4

Isomeric SMILES

C1CN(CC2=C1C(=C(S2)NC(=O)CCC3=CC=CC=C3)C#N)C(=O)OCCOCC4=CC=CC=C4

InChI

InChI=1S/C27H27N3O4S/c28-17-23-22-13-14-30(27(32)34-16-15-33-19-21-9-5-2-6-10-21)18-24(22)35-26(23)29-25(31)12-11-20-7-3-1-4-8-20/h1-10H,11-16,18-19H2,(H,29,31)