2-[[4-[[3,5-bis(trifluoromethyloxy)phenyl]methylamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]methylsulfinyl]ethanoate

Systemtic Name: 2-[[4-[[3,5-bis(trifluoromethyloxy)phenyl]methylamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]methylsulfinyl]ethanoate Openeye Name: 2-[[4-[[3,5-bis(trifluoromethoxy)phenyl]methylamino]-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-2-yl]methylsulfinyl]acetate CAS Name: 2-[[4-[[3,5-bis(trifluoromethoxy)phenyl]methylamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]methylsulfinyl]acetate IUPAC Name: 2-[[4-[[3,5-bis(trifluoromethoxy)phenyl]methylamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]methylsulfinyl]acetate Traditional Name: 2-[[4-[[3,5-bis(trifluoromethoxy)benzyl]amino]-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-2-yl]methylsulfinyl]acetate Formula: C22H18F6N3O5S2- MolecularWeight: 582.515839

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C3=C(N=C(N=C3S2)CS(=O)CC(=O)[O-])NCC4=CC(=CC(=C4)OC(F)(F)F)OC(F)(F)F

Isomeric SMILES

C1CCC2=C(C1)C3=C(N=C(N=C3S2)CS(=O)CC(=O)[O-])NCC4=CC(=CC(=C4)OC(F)(F)F)OC(F)(F)F

InChI

InChI=1S/C22H19F6N3O5S2/c23-21(24,25)35-12-5-11(6-13(7-12)36-22(26,27)28)8-29-19-18-14-3-1-2-4-15(14)37-20(18)31-16(30-19)9-38(34)10-17(32)33/h5-7H,1-4,8-10H2,(H,32,33)(H,29,30,31)/p-1