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

Systemtic Name: 7-[[2,6-bis(fluoranyl)phenyl]methyl]-6-methyl-3-[[methyl-(phenylmethyl)amino]methyl]-4-oxidanylidene-2-(4-prop-2-enoxyphenyl)thieno[2,3-b]pyridine-5-carboxylic acid Openeye Name: 2-(4-allyloxyphenyl)-3-[[benzyl(methyl)amino]methyl]-7-[(2,6-difluorophenyl)methyl]-6-methyl-4-oxo-thieno[2,3-b]pyridine-5-carboxylic acid CAS Name: 7-[(2,6-difluorophenyl)methyl]-6-methyl-3-[[methyl-(phenylmethyl)amino]methyl]-4-oxo-2-(4-prop-2-enoxyphenyl)-5-thieno[2,3-b]pyridinecarboxylic acid IUPAC Name: 3-[[benzyl(methyl)amino]methyl]-7-[(2,6-difluorophenyl)methyl]-6-methyl-4-oxo-2-(4-prop-2-enoxyphenyl)thieno[2,3-b]pyridine-5-carboxylic acid Traditional Name: 2-(4-allyloxyphenyl)-3-[[benzyl(methyl)amino]methyl]-7-(2,6-difluorobenzyl)-4-keto-6-methyl-thieno[2,3-b]pyridine-5-carboxylic acid Formula: C34H30F2N2O4S MolecularWeight: 600.674806

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C2=C(N1CC3=C(C=CC=C3F)F)SC(=C2CN(C)CC4=CC=CC=C4)C5=CC=C(C=C5)OCC=C)C(=O)O

Isomeric SMILES

CC1=C(C(=O)C2=C(N1CC3=C(C=CC=C3F)F)SC(=C2CN(C)CC4=CC=CC=C4)C5=CC=C(C=C5)OCC=C)C(=O)O

InChI

InChI=1S/C34H30F2N2O4S/c1-4-17-42-24-15-13-23(14-16-24)32-26(19-37(3)18-22-9-6-5-7-10-22)30-31(39)29(34(40)41)21(2)38(33(30)43-32)20-25-27(35)11-8-12-28(25)36/h4-16H,1,17-20H2,2-3H3,(H,40,41)