2-[5-[[2,3-bis(fluoranyl)phenyl]methylsulfanyl]-7-oxidanylidene-thieno[3,2-b]pyridin-4-yl]-N-(1-ethylpiperidin-4-yl)-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]ethanamide; 2,3-bis(oxidanyl)butanedioic acid

Systemtic Name: 2-[5-[[2,3-bis(fluoranyl)phenyl]methylsulfanyl]-7-oxidanylidene-thieno[3,2-b]pyridin-4-yl]-N-(1-ethylpiperidin-4-yl)-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]ethanamide; 2,3-bis(oxidanyl)butanedioic acid Openeye Name: 2-[5-[(2,3-difluorophenyl)methylsulfanyl]-7-oxo-thieno[3,2-b]pyridin-4-yl]-N-(1-ethyl-4-piperidyl)-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]acetamide; 2,3-dihydroxybutanedioic acid CAS Name: 2-[5-[(2,3-difluorophenyl)methylthio]-7-oxo-4-thieno[3,2-b]pyridinyl]-N-(1-ethyl-4-piperidinyl)-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]acetamide; 2,3-dihydroxybutanedioic acid IUPAC Name: 2-[5-[(2,3-difluorophenyl)methylsulfanyl]-7-oxothieno[3,2-b]pyridin-4-yl]-N-(1-ethylpiperidin-4-yl)-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]acetamide; 2,3-dihydroxybutanedioic acid Traditional Name: 2-[5-[(2,3-difluorobenzyl)thio]-7-keto-thieno[3,2-b]pyridin-4-yl]-N-(1-ethyl-4-piperidyl)-N-[4-[4-(trifluoromethyl)phenyl]benzyl]acetamide; tartaric acid Formula: C41H40F5N3O8S2 MolecularWeight: 861.893616

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCC(CC1)N(CC2=CC=C(C=C2)C3=CC=C(C=C3)C(F)(F)F)C(=O)CN4C5=C(C(=O)C=C4SCC6=C(C(=CC=C6)F)F)SC=C5.C(C(C(=O)O)O)(C(=O)O)O

Isomeric SMILES

CCN1CCC(CC1)N(CC2=CC=C(C=C2)C3=CC=C(C=C3)C(F)(F)F)C(=O)CN4C5=C(C(=O)C=C4SCC6=C(C(=CC=C6)F)F)SC=C5.C(C(C(=O)O)O)(C(=O)O)O

InChI

InChI=1S/C37H34F5N3O2S2.C4H6O6/c1-2-43-17-14-29(15-18-43)44(21-24-6-8-25(9-7-24)26-10-12-28(13-11-26)37(40,41)42)33(47)22-45-31-16-19-48-36(31)32(46)20-34(45)49-23-27-4-3-5-30(38)35(27)39;5-1(3(7)8)2(6)4(9)10/h3-13,16,19-20,29H,2,14-15,17-18,21-23H2,1H3;1-2,5-6H,(H,7,8)(H,9,10)