VIZ

2-[(2~{Z})-2-[2-(naphthalen-2-ylmethylsulfonyl)ethanoylimino]-3-oxidanyl-1,3-thiazol-4-yl]ethanoic acid

Created: 2023-07-27
Last modified:  2023-12-13

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Chemical Details

Formal Charge0
Atom Count44
Chiral Atom Count0
Bond Count46
Aromatic Bond Count11
2D diagram of VIZ

Chemical Component Summary

Name2-[(2~{Z})-2-[2-(naphthalen-2-ylmethylsulfonyl)ethanoylimino]-3-oxidanyl-1,3-thiazol-4-yl]ethanoic acid
Systematic Name (OpenEye OEToolkits)2-[(2~{Z})-2-[2-(naphthalen-2-ylmethylsulfonyl)ethanoylimino]-3-oxidanyl-1,3-thiazol-4-yl]ethanoic acid
FormulaC18 H16 N2 O6 S2
Molecular Weight420.459
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESCACTVS3.385ON1C(=CSC1=NC(=O)C[S](=O)(=O)Cc2ccc3ccccc3c2)CC(O)=O
SMILESOpenEye OEToolkits2.0.7c1ccc2cc(ccc2c1)CS(=O)(=O)CC(=O)N=C3N(C(=CS3)CC(=O)O)O
Canonical SMILESCACTVS3.385 ON1C(=CSC1=NC(=O)C[S](=O)(=O)Cc2ccc3ccccc3c2)CC(O)=O
Canonical SMILESOpenEye OEToolkits2.0.7 c1ccc2cc(ccc2c1)CS(=O)(=O)CC(=O)/N=C\3/N(C(=CS3)CC(=O)O)O
InChIInChI1.06 InChI=1S/C18H16N2O6S2/c21-16(19-18-20(24)15(9-27-18)8-17(22)23)11-28(25,26)10-12-5-6-13-3-1-2-4-14(13)7-12/h1-7,9,24H,8,10-11H2,(H,22,23)/b19-18-
InChIKeyInChI1.06 QNCNQHCDQMPPGD-HNENSFHCSA-N