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N5Q

Summary
Name:4-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]-2-oxidanyl-benzoic acid
Formula:C20 H14 N2 O3 S
Formal charge:0
Formula weight:362.402 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.74-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]-2-oxidanyl-benzoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C20H14N2O3S/c23-18-10-15(7-8-16(18)19(24)25)21-20-22-17(11-26-20)14-6-5-12-3-1-2-4-13(12)9-14/h1-11,23H,(H,21,22)(H,24,25)
InChIKeyInChI1.03HUECFCSRZKSRJF-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385OC(=O)c1ccc(Nc2scc(n2)c3ccc4ccccc4c3)cc1O
SMILESCACTVS3.385OC(=O)c1ccc(Nc2scc(n2)c3ccc4ccccc4c3)cc1O
SMILES_CANONICALOpenEye OEToolkits2.0.7c1ccc2cc(ccc2c1)c3csc(n3)Nc4ccc(c(c4)O)C(=O)O
SMILESOpenEye OEToolkits2.0.7c1ccc2cc(ccc2c1)c3csc(n3)Nc4ccc(c(c4)O)C(=O)O

222415

數據於2024-07-10公開中

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