BZU

(4R)-2-(2-ethoxyethyl)-4-(ethylamino)-3,4-dihydro-2H-thieno[3,2-e][1,2]thiazine-6-sulfonamide 1,1-dioxide

Created:2001-03-28
Last modified:  2011-06-04

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Chemical Details

Formal Charge0
Atom Count44
Chiral Atom Count1
Bond Count45
Aromatic Bond Count5
2D diagram of BZU

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Chemical Component Summary

Name(4R)-2-(2-ethoxyethyl)-4-(ethylamino)-3,4-dihydro-2H-thieno[3,2-e][1,2]thiazine-6-sulfonamide 1,1-dioxide
Systematic Name (OpenEye OEToolkits)(2S,4R)-2-(2-ethoxyethyl)-4-ethylamino-1,1-dioxo-3,4-dihydrothieno[4,5-e][1,2]thiazine-6-sulfonamide
FormulaC12 H21 N3 O5 S3
Molecular Weight383.507
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=S(=O)(c1sc2c(c1)C(NCC)CN(CCOCC)S2(=O)=O)N
SMILESCACTVS3.341CCN[CH]1CN(CCOCC)[S](=O)(=O)c2sc(cc12)[S](N)(=O)=O
SMILESOpenEye OEToolkits1.5.0CCNC1CN(S(=O)(=O)c2c1cc(s2)S(=O)(=O)N)CCOCC
Canonical SMILESCACTVS3.341 CCN[C@H]1CN(CCOCC)[S](=O)(=O)c2sc(cc12)[S](N)(=O)=O
Canonical SMILESOpenEye OEToolkits1.5.0 CCN[C@H]1C[N@](S(=O)(=O)c2c1cc(s2)S(=O)(=O)N)CCOCC
InChIInChI1.03 InChI=1S/C12H21N3O5S3/c1-3-14-10-8-15(5-6-20-4-2)23(18,19)12-9(10)7-11(21-12)22(13,16)17/h7,10,14H,3-6,8H2,1-2H3,(H2,13,16,17)/t10-/m0/s1
InChIKeyInChI1.03 BHFKHYVXDQDFSR-JTQLQIEISA-N

Related Resource References

Resource NameReference
PubChem 4369091