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

Systemtic Name: ethyl 2-(3-methylbutanoylamino)-6-(phenylmethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate Openeye Name: ethyl 6-benzyl-2-(3-methylbutanoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate CAS Name: 2-[(3-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-(3-methylbutanoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate Traditional Name: 6-benzyl-2-(isovalerylamino)-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:

CCOC(=O)C1=C(SC2=C1CCN(C2)CC3=CC=CC=C3)NC(=O)CC(C)C

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCN(C2)CC3=CC=CC=C3)NC(=O)CC(C)C

InChI

InChI=1S/C22H28N2O3S/c1-4-27-22(26)20-17-10-11-24(13-16-8-6-5-7-9-16)14-18(17)28-21(20)23-19(25)12-15(2)3/h5-9,15H,4,10-14H2,1-3H3,(H,23,25)