3,3-dibutyl-7-fluoranyl-5-(4-methoxyphenyl)-1-oxidanylidene-4,5-dihydro-2H-1$l^{4}-benzothiepin-4-ol

Systemtic Name: 3,3-dibutyl-7-fluoranyl-5-(4-methoxyphenyl)-1-oxidanylidene-4,5-dihydro-2H-1$l^{4}-benzothiepin-4-ol Openeye Name: 3,3-dibutyl-7-fluoro-5-(4-methoxyphenyl)-1-oxo-4,5-dihydro-2H-1$l^{4}-benzothiepin-4-ol CAS Name: 3,3-dibutyl-7-fluoro-5-(4-methoxyphenyl)-1-oxo-4,5-dihydro-2H-1$l^{4}-benzothiepin-4-ol IUPAC Name: 3,3-dibutyl-7-fluoro-5-(4-methoxyphenyl)-1-oxo-4,5-dihydro-2H-1$l^{4}-benzothiepin-4-ol Traditional Name: 3,3-dibutyl-7-fluoro-1-keto-5-(4-methoxyphenyl)-4,5-dihydro-2H-1$l^{4}-benzothiepin-4-ol Formula: C25H33FO3S MolecularWeight: 432.591123

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H33FO3S/c1-4-6-14-25(15-7-5-2)17-30(28)22-13-10-19(26)16-21(22)23(24(25)27)18-8-11-20(29-3)12-9-18/h8-13,16,23-24,27H,4-7,14-15,17H2,1-3H3