7-[4-(2-ethoxyethoxy)-3-fluoranyl-phenyl]-N-[4-[[methyl(oxan-4-yl)amino]methyl]phenyl]-1,1-bis(oxidanylidene)-2,3-dihydro-1$l^{6}-benzothiepine-4-carboxamide

Systemtic Name: 7-[4-(2-ethoxyethoxy)-3-fluoranyl-phenyl]-N-[4-[[methyl(oxan-4-yl)amino]methyl]phenyl]-1,1-bis(oxidanylidene)-2,3-dihydro-1$l^{6}-benzothiepine-4-carboxamide Openeye Name: 7-[4-(2-ethoxyethoxy)-3-fluoro-phenyl]-N-[4-[[methyl(tetrahydropyran-4-yl)amino]methyl]phenyl]-1,1-dioxo-2,3-dihydro-1$l^{6}-benzothiepine-4-carboxamide CAS Name: 7-[4-(2-ethoxyethoxy)-3-fluorophenyl]-N-[4-[[methyl(4-oxanyl)amino]methyl]phenyl]-1,1-dioxo-2,3-dihydro-1$l^{6}-benzothiepin-4-carboxamide IUPAC Name: 7-[4-(2-ethoxyethoxy)-3-fluorophenyl]-N-[4-[[methyl(oxan-4-yl)amino]methyl]phenyl]-1,1-dioxo-2,3-dihydro-1$l^{6}-benzothiepine-4-carboxamide Traditional Name: 7-[4-(2-ethoxyethoxy)-3-fluoro-phenyl]-1,1-diketo-N-[4-[[methyl(tetrahydropyran-4-yl)amino]methyl]phenyl]-2,3-dihydro-1$l^{6}-benzothiepin-4-carboxamide Formula: C34H39FN2O6S MolecularWeight: 622.746663

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCOC1=C(C=C(C=C1)C2=CC3=C(C=C2)S(=O)(=O)CCC(=C3)C(=O)NC4=CC=C(C=C4)CN(C)C5CCOCC5)F

Isomeric SMILES

CCOCCOC1=C(C=C(C=C1)C2=CC3=C(C=C2)S(=O)(=O)CCC(=C3)C(=O)NC4=CC=C(C=C4)CN(C)C5CCOCC5)F

InChI

InChI=1S/C34H39FN2O6S/c1-3-41-17-18-43-32-10-6-26(22-31(32)35)25-7-11-33-28(20-25)21-27(14-19-44(33,39)40)34(38)36-29-8-4-24(5-9-29)23-37(2)30-12-15-42-16-13-30/h4-11,20-22,30H,3,12-19,23H2,1-2H3,(H,36,38)