2-ethyl-3-[4-(4-fluorophenyl)piperazin-1-yl]-1,1-bis(oxidanylidene)-3,4-dihydro-2H-thiochromen-4-ol

Systemtic Name: 2-ethyl-3-[4-(4-fluorophenyl)piperazin-1-yl]-1,1-bis(oxidanylidene)-3,4-dihydro-2H-thiochromen-4-ol Openeye Name: 2-ethyl-3-[4-(4-fluorophenyl)piperazin-1-yl]-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-ol CAS Name: 2-ethyl-3-[4-(4-fluorophenyl)-1-piperazinyl]-1,1-dioxo-3,4-dihydro-2H-1-benzothiopyran-4-ol IUPAC Name: 2-ethyl-3-[4-(4-fluorophenyl)piperazin-1-yl]-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-ol Traditional Name: 2-ethyl-3-[4-(4-fluorophenyl)piperazino]-1,1-diketo-3,4-dihydro-2H-thiochromen-4-ol Formula: C21H25FN2O3S MolecularWeight: 404.498203

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(C(C2=CC=CC=C2S1(=O)=O)O)N3CCN(CC3)C4=CC=C(C=C4)F

Isomeric SMILES

CCC1C(C(C2=CC=CC=C2S1(=O)=O)O)N3CCN(CC3)C4=CC=C(C=C4)F

InChI

InChI=1S/C21H25FN2O3S/c1-2-18-20(21(25)17-5-3-4-6-19(17)28(18,26)27)24-13-11-23(12-14-24)16-9-7-15(22)8-10-16/h3-10,18,20-21,25H,2,11-14H2,1H3