(4R,5R)-3,3-dibutyl-7-(dimethylamino)-5-(4-fluorophenyl)-1,1-bis(oxidanylidene)-4,5-dihydro-2H-1$l^{6}-benzothiepin-4-ol

Systemtic Name: (4R,5R)-3,3-dibutyl-7-(dimethylamino)-5-(4-fluorophenyl)-1,1-bis(oxidanylidene)-4,5-dihydro-2H-1$l^{6}-benzothiepin-4-ol Openeye Name: (4R,5R)-3,3-dibutyl-7-(dimethylamino)-5-(4-fluorophenyl)-1,1-dioxo-4,5-dihydro-2H-1$l^{6}-benzothiepin-4-ol CAS Name: (4R,5R)-3,3-dibutyl-7-(dimethylamino)-5-(4-fluorophenyl)-1,1-dioxo-4,5-dihydro-2H-1$l^{6}-benzothiepin-4-ol IUPAC Name: (4R,5R)-3,3-dibutyl-7-(dimethylamino)-5-(4-fluorophenyl)-1,1-dioxo-4,5-dihydro-2H-1$l^{6}-benzothiepin-4-ol Traditional Name: (4R,5R)-3,3-dibutyl-7-(dimethylamino)-5-(4-fluorophenyl)-1,1-diketo-4,5-dihydro-2H-1$l^{6}-benzothiepin-4-ol Formula: C26H36FNO3S MolecularWeight: 461.632343

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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=C(C=C3)F)CCCC

Isomeric SMILES

CCCCC1(CS(=O)(=O)C2=C(C=C(C=C2)N(C)C)[C@H]([C@H]1O)C3=CC=C(C=C3)F)CCCC

InChI

InChI=1S/C26H36FNO3S/c1-5-7-15-26(16-8-6-2)18-32(30,31)23-14-13-21(28(3)4)17-22(23)24(25(26)29)19-9-11-20(27)12-10-19/h9-14,17,24-25,29H,5-8,15-16,18H2,1-4H3/t24-,25-/m1/s1