3-butyl-3-ethyl-5-(4-fluorophenyl)-1,1-bis(oxidanylidene)-7-pyrrolidin-1-yl-4,5-dihydro-2H-1$l^{6}-benzothiepin-4-ol

Systemtic Name: 3-butyl-3-ethyl-5-(4-fluorophenyl)-1,1-bis(oxidanylidene)-7-pyrrolidin-1-yl-4,5-dihydro-2H-1$l^{6}-benzothiepin-4-ol Openeye Name: 3-butyl-3-ethyl-5-(4-fluorophenyl)-1,1-dioxo-7-pyrrolidin-1-yl-4,5-dihydro-2H-1$l^{6}-benzothiepin-4-ol CAS Name: 3-butyl-3-ethyl-5-(4-fluorophenyl)-1,1-dioxo-7-(1-pyrrolidinyl)-4,5-dihydro-2H-1$l^{6}-benzothiepin-4-ol IUPAC Name: 3-butyl-3-ethyl-5-(4-fluorophenyl)-1,1-dioxo-7-pyrrolidin-1-yl-4,5-dihydro-2H-1$l^{6}-benzothiepin-4-ol Traditional Name: 3-butyl-3-ethyl-5-(4-fluorophenyl)-1,1-diketo-7-pyrrolidino-4,5-dihydro-2H-1$l^{6}-benzothiepin-4-ol Formula: C26H34FNO3S MolecularWeight: 459.616463

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1(CS(=O)(=O)C2=C(C=C(C=C2)N3CCCC3)C(C1O)C4=CC=C(C=C4)F)CC

Isomeric SMILES

CCCCC1(CS(=O)(=O)C2=C(C=C(C=C2)N3CCCC3)C(C1O)C4=CC=C(C=C4)F)CC

InChI

InChI=1S/C26H34FNO3S/c1-3-5-14-26(4-2)18-32(30,31)23-13-12-21(28-15-6-7-16-28)17-22(23)24(25(26)29)19-8-10-20(27)11-9-19/h8-13,17,24-25,29H,3-7,14-16,18H2,1-2H3