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3RV

Summary
Name:5-fluoro-2-{[(5Z)-5-(naphthalen-1-ylmethylidene)-4-oxo-4,5-dihydro-1,3-thiazol-2-yl]amino}benzoic acid
Formula:C21 H13 F N2 O3 S
Formal charge:0
Formula weight:392.403 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.015-fluoro-2-{[(5Z)-5-(naphthalen-1-ylmethylidene)-4-oxo-4,5-dihydro-1,3-thiazol-2-yl]amino}benzoic acid
OpenEye OEToolkits1.7.65-fluoranyl-2-[[(5Z)-5-(naphthalen-1-ylmethylidene)-4-oxidanylidene-1,3-thiazol-2-yl]amino]benzoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(O)c1cc(F)ccc1NC2=NC(=O)C(\S2)=C\c4c3ccccc3ccc4
InChIInChI1.03InChI=1S/C21H13FN2O3S/c22-14-8-9-17(16(11-14)20(26)27)23-21-24-19(25)18(28-21)10-13-6-3-5-12-4-1-2-7-15(12)13/h1-11H,(H,26,27)(H,23,24,25)/b18-10-
InChIKeyInChI1.03SWEIVYMGBOSFGN-ZDLGFXPLSA-N
SMILES_CANONICALCACTVS3.385OC(=O)c1cc(F)ccc1NC2=NC(=O)/C(S2)=C/c3cccc4ccccc34
SMILESCACTVS3.385OC(=O)c1cc(F)ccc1NC2=NC(=O)C(S2)=Cc3cccc4ccccc34
SMILES_CANONICALOpenEye OEToolkits1.7.6c1ccc2c(c1)cccc2/C=C\3/C(=O)N=C(S3)Nc4ccc(cc4C(=O)O)F
SMILESOpenEye OEToolkits1.7.6c1ccc2c(c1)cccc2C=C3C(=O)N=C(S3)Nc4ccc(cc4C(=O)O)F

223532

数据于2024-08-07公开中

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