(4R,5R)-3,3-dibutyl-9-fluoranyl-5-(4-fluorophenyl)-1,1-bis(oxidanylidene)-4,5-dihydro-2H-1$l^{6}-benzothiepin-4-ol

Systemtic Name: (4R,5R)-3,3-dibutyl-9-fluoranyl-5-(4-fluorophenyl)-1,1-bis(oxidanylidene)-4,5-dihydro-2H-1$l^{6}-benzothiepin-4-ol Openeye Name: (4R,5R)-3,3-dibutyl-9-fluoro-5-(4-fluorophenyl)-1,1-dioxo-4,5-dihydro-2H-1$l^{6}-benzothiepin-4-ol CAS Name: (4R,5R)-3,3-dibutyl-9-fluoro-5-(4-fluorophenyl)-1,1-dioxo-4,5-dihydro-2H-1$l^{6}-benzothiepin-4-ol IUPAC Name: (4R,5R)-3,3-dibutyl-9-fluoro-5-(4-fluorophenyl)-1,1-dioxo-4,5-dihydro-2H-1$l^{6}-benzothiepin-4-ol Traditional Name: (4R,5R)-3,3-dibutyl-9-fluoro-5-(4-fluorophenyl)-1,1-diketo-4,5-dihydro-2H-1$l^{6}-benzothiepin-4-ol Formula: C24H30F2O3S MolecularWeight: 436.555006

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1(CS(=O)(=O)C2=C(C=CC=C2F)C(C1O)C3=CC=C(C=C3)F)CCCC

Isomeric SMILES

CCCCC1(CS(=O)(=O)C2=C(C=CC=C2F)[C@H]([C@H]1O)C3=CC=C(C=C3)F)CCCC

InChI

InChI=1S/C24H30F2O3S/c1-3-5-14-24(15-6-4-2)16-30(28,29)22-19(8-7-9-20(22)26)21(23(24)27)17-10-12-18(25)13-11-17/h7-13,21,23,27H,3-6,14-16H2,1-2H3/t21-,23-/m1/s1