O6-ethyl O3-methyl 2-(3-phenylpropanoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylate

Systemtic Name: O6-ethyl O3-methyl 2-(3-phenylpropanoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylate Openeye Name: O6-ethyl O3-methyl 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 O6-ethyl ester O3-methyl ester IUPAC Name: 6-O-ethyl 3-O-methyl 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 O6-ethyl ester O3-methyl ester Formula: C21H24N2O5S MolecularWeight: 416.49066

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)CCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)N1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)CCC3=CC=CC=C3

InChI

InChI=1S/C21H24N2O5S/c1-3-28-21(26)23-12-11-15-16(13-23)29-19(18(15)20(25)27-2)22-17(24)10-9-14-7-5-4-6-8-14/h4-8H,3,9-13H2,1-2H3,(H,22,24)