Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : 6V9    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C5H5NO2S/c1-3-6-2-4(9-3)5(7)8/h2H,1H3,(H,7,8)
2 InChIKey InChI 1.03 QCXCIYPOMMIBHO-UHFFFAOYSA-N
3 SMILES CACTVS 3.385 Cc1sc(cn1)C(O)=O
4 SMILES OpenEye OEToolkits 2.0.5 Cc1ncc(s1)C(=O)O
5 Canonical SMILES CACTVS 3.385 Cc1sc(cn1)C(O)=O
6 Canonical SMILES OpenEye OEToolkits 2.0.5 Cc1ncc(s1)C(=O)O