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VIZ

Summary
Name:2-[(2~{Z})-2-[2-(naphthalen-2-ylmethylsulfonyl)ethanoylimino]-3-oxidanyl-1,3-thiazol-4-yl]ethanoic acid
Formula:C18 H16 N2 O6 S2
Formal charge:0
Formula weight:420.459 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.72-[(2~{Z})-2-[2-(naphthalen-2-ylmethylsulfonyl)ethanoylimino]-3-oxidanyl-1,3-thiazol-4-yl]ethanoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=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-
InChIKeyInChI1.06QNCNQHCDQMPPGD-HNENSFHCSA-N
SMILES_CANONICALCACTVS3.385ON1C(=CSC1=NC(=O)C[S](=O)(=O)Cc2ccc3ccccc3c2)CC(O)=O
SMILESCACTVS3.385ON1C(=CSC1=NC(=O)C[S](=O)(=O)Cc2ccc3ccccc3c2)CC(O)=O
SMILES_CANONICALOpenEye OEToolkits2.0.7c1ccc2cc(ccc2c1)CS(=O)(=O)CC(=O)/N=C\3/N(C(=CS3)CC(=O)O)O
SMILESOpenEye OEToolkits2.0.7c1ccc2cc(ccc2c1)CS(=O)(=O)CC(=O)N=C3N(C(=CS3)CC(=O)O)O

222415

数据于2024-07-10公开中

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