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

Systemtic Name: ethyl 2-(heptanoylamino)-6-(phenylmethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate Openeye Name: ethyl 6-benzyl-2-(heptanoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate CAS Name: 2-(1-oxoheptylamino)-6-(phenylmethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-benzyl-2-(heptanoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate Traditional Name: 6-benzyl-2-(enanthylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid ethyl ester Formula: C24H32N2O3S MolecularWeight: 428.58748

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H32N2O3S/c1-3-5-6-10-13-21(27)25-23-22(24(28)29-4-2)19-14-15-26(17-20(19)30-23)16-18-11-8-7-9-12-18/h7-9,11-12H,3-6,10,13-17H2,1-2H3,(H,25,27)