dimethyl 2-(3-phenylpropanoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylate

Systemtic Name: dimethyl 2-(3-phenylpropanoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylate Openeye Name: dimethyl 2-(3-phenylpropanoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylate CAS Name: 2-[(1-oxo-3-phenylpropyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-(3-phenylpropanoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylate Traditional Name: 2-(hydrocinnamoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylic acid dimethyl ester Formula: C20H22N2O5S MolecularWeight: 402.46408

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC2=C1CCN(C2)C(=O)OC)NC(=O)CCC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=C(SC2=C1CCN(C2)C(=O)OC)NC(=O)CCC3=CC=CC=C3

InChI

InChI=1S/C20H22N2O5S/c1-26-19(24)17-14-10-11-22(20(25)27-2)12-15(14)28-18(17)21-16(23)9-8-13-6-4-3-5-7-13/h3-7H,8-12H2,1-2H3,(H,21,23)