2-ethylhexyl 6-ethanoyl-2-(2-methylpropanoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate

Systemtic Name: 2-ethylhexyl 6-ethanoyl-2-(2-methylpropanoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate Openeye Name: 2-ethylhexyl 6-acetyl-2-(2-methylpropanoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate CAS Name: 6-acetyl-2-[(2-methyl-1-oxopropyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid 2-ethylhexyl ester IUPAC Name: 2-ethylhexyl 6-acetyl-2-(2-methylpropanoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate Traditional Name: 6-acetyl-2-(isobutyrylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid 2-ethylhexyl ester Formula: C22H34N2O4S MolecularWeight: 422.58136

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)COC(=O)C1=C(SC2=C1CCN(C2)C(=O)C)NC(=O)C(C)C

Isomeric SMILES

CCCCC(CC)COC(=O)C1=C(SC2=C1CCN(C2)C(=O)C)NC(=O)C(C)C

InChI

InChI=1S/C22H34N2O4S/c1-6-8-9-16(7-2)13-28-22(27)19-17-10-11-24(15(5)25)12-18(17)29-21(19)23-20(26)14(3)4/h14,16H,6-13H2,1-5H3,(H,23,26)