7-[[2,6-bis(fluoranyl)phenyl]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]-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]-2-[4-(2-methylpropanoylamino)phenyl]-4-oxo-thieno[2,3-b]pyridine-5-carboxylate CAS Name: 7-[(2,6-difluorophenyl)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]-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-thieno[2,3-b]pyridine-5-carboxylate Formula: C34H30F2N3O4S- MolecularWeight: 614.681506

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C34H31F2N3O4S/c1-20(2)32(41)37-23-14-12-22(13-15-23)31-25(17-38(3)16-21-8-5-4-6-9-21)29-30(40)26(34(42)43)19-39(33(29)44-31)18-24-27(35)10-7-11-28(24)36/h4-15,19-20H,16-18H2,1-3H3,(H,37,41)(H,42,43)/p-1