QJ1

methyl (7S)-7-(thiophen-2-yl)-1,4-thiazepane-4-carboxylate

Created:2019-11-04
Last modified:  2020-01-01

Help

Find related ligands:

Chemical Details

Formal Charge0
Atom Count31
Chiral Atom Count1
Bond Count32
Aromatic Bond Count5
2D diagram of QJ1

WebGL does not seem to be available.

This can be caused by an outdated browser, graphics card driver issue, or bad weather. Sometimes, just restarting the browser helps. Also, make sure hardware acceleration is enabled in your browser.

For a list of supported browsers, refer to http://caniuse.com/#feat=webgl.

Toggle HydrogenToggle Labels

Chemical Component Summary

Namemethyl (7S)-7-(thiophen-2-yl)-1,4-thiazepane-4-carboxylate
Systematic Name (OpenEye OEToolkits)methyl (7~{S})-7-thiophen-2-yl-1,4-thiazepane-4-carboxylate
FormulaC11 H15 N O2 S2
Molecular Weight257.372
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01c1(sccc1)C2CCN(C(OC)=O)CCS2
SMILESCACTVS3.385COC(=O)N1CCS[CH](CC1)c2sccc2
SMILESOpenEye OEToolkits2.0.7COC(=O)N1CCC(SCC1)c2cccs2
Canonical SMILESCACTVS3.385 COC(=O)N1CCS[C@@H](CC1)c2sccc2
Canonical SMILESOpenEye OEToolkits2.0.7 COC(=O)N1CC[C@H](SCC1)c2cccs2
InChIInChI1.03 InChI=1S/C11H15NO2S2/c1-14-11(13)12-5-4-10(16-8-6-12)9-3-2-7-15-9/h2-3,7,10H,4-6,8H2,1H3/t10-/m0/s1
InChIKeyInChI1.03 GTUMUZDXWXZZSA-JTQLQIEISA-N

Related Resource References

Resource NameReference
PubChem 145714287