7-[[2,6-bis(fluoranyl)phenyl]methyl]-3-[[methyl-(phenylmethyl)amino]methyl]-6-(2-methylpropyl)-4-oxidanylidene-2-[4-(propanoylamino)phenyl]thieno[2,3-b]pyridine-5-carboxylic acid

Systemtic Name: 7-[[2,6-bis(fluoranyl)phenyl]methyl]-3-[[methyl-(phenylmethyl)amino]methyl]-6-(2-methylpropyl)-4-oxidanylidene-2-[4-(propanoylamino)phenyl]thieno[2,3-b]pyridine-5-carboxylic acid Openeye Name: 3-[[benzyl(methyl)amino]methyl]-7-[(2,6-difluorophenyl)methyl]-6-isobutyl-4-oxo-2-[4-(propanoylamino)phenyl]thieno[2,3-b]pyridine-5-carboxylic acid CAS Name: 7-[(2,6-difluorophenyl)methyl]-3-[[methyl-(phenylmethyl)amino]methyl]-6-(2-methylpropyl)-4-oxo-2-[4-(1-oxopropylamino)phenyl]-5-thieno[2,3-b]pyridinecarboxylic acid IUPAC Name: 3-[[benzyl(methyl)amino]methyl]-7-[(2,6-difluorophenyl)methyl]-6-(2-methylpropyl)-4-oxo-2-[4-(propanoylamino)phenyl]thieno[2,3-b]pyridine-5-carboxylic acid Traditional Name: 3-[[benzyl(methyl)amino]methyl]-7-(2,6-difluorobenzyl)-6-isobutyl-4-keto-2-(4-propionamidophenyl)thieno[2,3-b]pyridine-5-carboxylic acid Formula: C37H37F2N3O4S MolecularWeight: 657.769186

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC=C(C=C1)C2=C(C3=C(S2)N(C(=C(C3=O)C(=O)O)CC(C)C)CC4=C(C=CC=C4F)F)CN(C)CC5=CC=CC=C5

Isomeric SMILES

CCC(=O)NC1=CC=C(C=C1)C2=C(C3=C(S2)N(C(=C(C3=O)C(=O)O)CC(C)C)CC4=C(C=CC=C4F)F)CN(C)CC5=CC=CC=C5

InChI

InChI=1S/C37H37F2N3O4S/c1-5-31(43)40-25-16-14-24(15-17-25)35-27(20-41(4)19-23-10-7-6-8-11-23)32-34(44)33(37(45)46)30(18-22(2)3)42(36(32)47-35)21-26-28(38)12-9-13-29(26)39/h6-17,22H,5,18-21H2,1-4H3,(H,40,43)(H,45,46)