2-[2-[2-[[3-[3-butyl-7-(dimethylamino)-3-ethyl-4-oxidanyl-1,1-bis(oxidanylidene)-4,5-dihydro-2H-1$l^{6}-benzothiepin-5-yl]phenyl]amino]-2-oxidanylidene-ethoxy]ethoxy]-N-[[4-[3-[3-(4-fluorophenyl)-3-oxidanyl-propyl]-2-(4-methoxyphenyl)-4-oxidanylidene-azetidin-1-yl]phenyl]methyl]ethanamide

Systemtic Name: 2-[2-[2-[[3-[3-butyl-7-(dimethylamino)-3-ethyl-4-oxidanyl-1,1-bis(oxidanylidene)-4,5-dihydro-2H-1$l^{6}-benzothiepin-5-yl]phenyl]amino]-2-oxidanylidene-ethoxy]ethoxy]-N-[[4-[3-[3-(4-fluorophenyl)-3-oxidanyl-propyl]-2-(4-methoxyphenyl)-4-oxidanylidene-azetidin-1-yl]phenyl]methyl]ethanamide Openeye Name: 2-[2-[2-[3-[3-butyl-7-(dimethylamino)-3-ethyl-4-hydroxy-1,1-dioxo-4,5-dihydro-2H-1$l^{6}-benzothiepin-5-yl]anilino]-2-oxo-ethoxy]ethoxy]-N-[[4-[3-[3-(4-fluorophenyl)-3-hydroxy-propyl]-2-(4-methoxyphenyl)-4-oxo-azetidin-1-yl]phenyl]methyl]acetamide CAS Name: 2-[2-[2-[3-[3-butyl-7-(dimethylamino)-3-ethyl-4-hydroxy-1,1-dioxo-4,5-dihydro-2H-1$l^{6}-benzothiepin-5-yl]anilino]-2-oxoethoxy]ethoxy]-N-[[4-[3-[3-(4-fluorophenyl)-3-hydroxypropyl]-2-(4-methoxyphenyl)-4-oxo-1-azetidinyl]phenyl]methyl]acetamide IUPAC Name: 2-[2-[2-[3-[3-butyl-7-(dimethylamino)-3-ethyl-4-hydroxy-1,1-dioxo-4,5-dihydro-2H-1$l^{6}-benzothiepin-5-yl]anilino]-2-oxoethoxy]ethoxy]-N-[[4-[3-[3-(4-fluorophenyl)-3-hydroxypropyl]-2-(4-methoxyphenyl)-4-oxoazetidin-1-yl]phenyl]methyl]acetamide Traditional Name: 2-[2-[2-[3-[3-butyl-7-(dimethylamino)-3-ethyl-4-hydroxy-1,1-diketo-4,5-dihydro-2H-1$l^{6}-benzothiepin-5-yl]anilino]-2-keto-ethoxy]ethoxy]-N-[4-[3-[3-(4-fluorophenyl)-3-hydroxy-propyl]-2-keto-4-(4-methoxyphenyl)azetidin-1-yl]benzyl]acetamide Formula: C56H67FN4O10S MolecularWeight: 1007.215383

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1(CS(=O)(=O)C2=C(C=C(C=C2)N(C)C)C(C1O)C3=CC(=CC=C3)NC(=O)COCCOCC(=O)NCC4=CC=C(C=C4)N5C(C(C5=O)CCC(C6=CC=C(C=C6)F)O)C7=CC=C(C=C7)OC)CC

Isomeric SMILES

CCCCC1(CS(=O)(=O)C2=C(C=C(C=C2)N(C)C)C(C1O)C3=CC(=CC=C3)NC(=O)COCCOCC(=O)NCC4=CC=C(C=C4)N5C(C(C5=O)CCC(C6=CC=C(C=C6)F)O)C7=CC=C(C=C7)OC)CC

InChI

InChI=1S/C56H67FN4O10S/c1-6-8-28-56(7-2)36-72(67,68)49-27-22-44(60(3)4)32-47(49)52(54(56)65)40-10-9-11-42(31-40)59-51(64)35-71-30-29-70-34-50(63)58-33-37-12-20-43(21-13-37)61-53(39-16-23-45(69-5)24-17-39)46(55(61)66)25-26-48(62)38-14-18-41(57)19-15-38/h9-24,27,31-32,46,48,52-54,62,65H,6-8,25-26,28-30,33-36H2,1-5H3,(H,58,63)(H,59,64)