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

Systemtic Name: 2-methoxyethyl 3-cyano-2-(3-phenylpropanoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate Openeye Name: 2-methoxyethyl 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-methoxyethyl ester IUPAC Name: 2-methoxyethyl 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-methoxyethyl ester Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

COCCOC(=O)N1CCC2=C(C1)SC(=C2C#N)NC(=O)CCC3=CC=CC=C3

Isomeric SMILES

COCCOC(=O)N1CCC2=C(C1)SC(=C2C#N)NC(=O)CCC3=CC=CC=C3

InChI

InChI=1S/C21H23N3O4S/c1-27-11-12-28-21(26)24-10-9-16-17(13-22)20(29-18(16)14-24)23-19(25)8-7-15-5-3-2-4-6-15/h2-6H,7-12,14H2,1H3,(H,23,25)