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BXW

Summary
Name:3-oxo-3,4-dihydro-2H-1,4-benzothiazine-7-carboxylic acid
Formula:C9 H7 N O3 S
Formal charge:0
Formula weight:209.222 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.013-oxo-3,4-dihydro-2H-1,4-benzothiazine-7-carboxylic acid
OpenEye OEToolkits1.7.23-oxidanylidene-4H-1,4-benzothiazine-7-carboxylic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(O)c2ccc1c(SCC(=O)N1)c2
InChIInChI1.03InChI=1S/C9H7NO3S/c11-8-4-14-7-3-5(9(12)13)1-2-6(7)10-8/h1-3H,4H2,(H,10,11)(H,12,13)
InChIKeyInChI1.03PMIQHWMFUZMWOX-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.370OC(=O)c1ccc2NC(=O)CSc2c1
SMILESCACTVS3.370OC(=O)c1ccc2NC(=O)CSc2c1
SMILES_CANONICALOpenEye OEToolkits1.7.2c1cc2c(cc1C(=O)O)SCC(=O)N2
SMILESOpenEye OEToolkits1.7.2c1cc2c(cc1C(=O)O)SCC(=O)N2

217705

PDB entries from 2024-03-27

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