7-[[2,6-bis(fluoranyl)phenyl]methyl]-6-methyl-3-[[methyl-(phenylmethyl)amino]methyl]-2-[4-(2-methylpropanoylamino)phenyl]-4-oxidanylidene-thieno[2,3-b]pyridine-5-carboxylate

Systemtic Name: 7-[[2,6-bis(fluoranyl)phenyl]methyl]-6-methyl-3-[[methyl-(phenylmethyl)amino]methyl]-2-[4-(2-methylpropanoylamino)phenyl]-4-oxidanylidene-thieno[2,3-b]pyridine-5-carboxylate Openeye Name: 3-[[benzyl(methyl)amino]methyl]-7-[(2,6-difluorophenyl)methyl]-6-methyl-2-[4-(2-methylpropanoylamino)phenyl]-4-oxo-thieno[2,3-b]pyridine-5-carboxylate CAS Name: 7-[(2,6-difluorophenyl)methyl]-6-methyl-2-[4-[(2-methyl-1-oxopropyl)amino]phenyl]-3-[[methyl-(phenylmethyl)amino]methyl]-4-oxo-5-thieno[2,3-b]pyridinecarboxylate IUPAC Name: 3-[[benzyl(methyl)amino]methyl]-7-[(2,6-difluorophenyl)methyl]-6-methyl-2-[4-(2-methylpropanoylamino)phenyl]-4-oxothieno[2,3-b]pyridine-5-carboxylate Traditional Name: 3-[[benzyl(methyl)amino]methyl]-7-(2,6-difluorobenzyl)-2-[4-(isobutyrylamino)phenyl]-4-keto-6-methyl-thieno[2,3-b]pyridine-5-carboxylate Formula: C35H32F2N3O4S- MolecularWeight: 628.708086

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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)NC(=O)C(C)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)NC(=O)C(C)C)C(=O)[O-]

InChI

InChI=1S/C35H33F2N3O4S/c1-20(2)33(42)38-24-15-13-23(14-16-24)32-26(18-39(4)17-22-9-6-5-7-10-22)30-31(41)29(35(43)44)21(3)40(34(30)45-32)19-25-27(36)11-8-12-28(25)37/h5-16,20H,17-19H2,1-4H3,(H,38,42)(H,43,44)/p-1