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

Systemtic Name: ethyl 2-(pentanoylamino)-6-(phenylmethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate Openeye Name: ethyl 6-benzyl-2-(pentanoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate CAS Name: 2-(1-oxopentylamino)-6-(phenylmethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-benzyl-2-(pentanoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate Traditional Name: 6-benzyl-2-(valerylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid ethyl ester Formula: C22H28N2O3S MolecularWeight: 400.53432

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC1=C(C2=C(S1)CN(CC2)CC3=CC=CC=C3)C(=O)OCC

Isomeric SMILES

CCCCC(=O)NC1=C(C2=C(S1)CN(CC2)CC3=CC=CC=C3)C(=O)OCC

InChI

InChI=1S/C22H28N2O3S/c1-3-5-11-19(25)23-21-20(22(26)27-4-2)17-12-13-24(15-18(17)28-21)14-16-9-7-6-8-10-16/h6-10H,3-5,11-15H2,1-2H3,(H,23,25)