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ILC

Summary
Name:3-{[(3-FLUORO-3'-METHOXYBIPHENYL-4-YL)AMINO]CARBONYL}THIOPHENE-2-CARBOXYLIC ACID
Formula:C19 H14 F N O4 S
Formal charge:0
Formula weight:371.382 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.043-[(3-fluoro-3'-methoxybiphenyl-4-yl)carbamoyl]thiophene-2-carboxylic acid
OpenEye OEToolkits1.5.03-[[2-fluoro-4-(3-methoxyphenyl)phenyl]carbamoyl]thiophene-2-carboxylic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(O)c3sccc3C(=O)Nc2ccc(c1cccc(OC)c1)cc2F
SMILES_CANONICALCACTVS3.341COc1cccc(c1)c2ccc(NC(=O)c3ccsc3C(O)=O)c(F)c2
SMILESCACTVS3.341COc1cccc(c1)c2ccc(NC(=O)c3ccsc3C(O)=O)c(F)c2
SMILES_CANONICALOpenEye OEToolkits1.5.0COc1cccc(c1)c2ccc(c(c2)F)NC(=O)c3ccsc3C(=O)O
SMILESOpenEye OEToolkits1.5.0COc1cccc(c1)c2ccc(c(c2)F)NC(=O)c3ccsc3C(=O)O
InChIInChI1.03InChI=1S/C19H14FNO4S/c1-25-13-4-2-3-11(9-13)12-5-6-16(15(20)10-12)21-18(22)14-7-8-26-17(14)19(23)24/h2-10H,1H3,(H,21,22)(H,23,24)
InChIKeyInChI1.03GIUMGVUBDBDTDX-UHFFFAOYSA-N

226262

数据于2024-10-16公开中

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