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

Systemtic Name: ethyl 2-(2-methylpropanoylamino)-6-(phenylcarbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate Openeye Name: ethyl 6-benzoyl-2-(2-methylpropanoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate CAS Name: 6-benzoyl-2-[(2-methyl-1-oxopropyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-benzoyl-2-(2-methylpropanoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate Traditional Name: 6-benzoyl-2-(isobutyrylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid ethyl ester Formula: C21H24N2O4S MolecularWeight: 400.49126

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCN(C2)C(=O)C3=CC=CC=C3)NC(=O)C(C)C

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCN(C2)C(=O)C3=CC=CC=C3)NC(=O)C(C)C

InChI

InChI=1S/C21H24N2O4S/c1-4-27-21(26)17-15-10-11-23(20(25)14-8-6-5-7-9-14)12-16(15)28-19(17)22-18(24)13(2)3/h5-9,13H,4,10-12H2,1-3H3,(H,22,24)