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

Systemtic Name: ethyl 2-(2-methylbutanoylamino)-6-(phenylmethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate Openeye Name: ethyl 6-benzyl-2-(2-methylbutanoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate CAS Name: 2-[(2-methyl-1-oxobutyl)amino]-6-(phenylmethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-benzyl-2-(2-methylbutanoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate Traditional Name: 6-benzyl-2-(2-methylbutanoylamino)-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:

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

Isomeric SMILES

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

InChI

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