Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : 0K7    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C11H9NO2S/c1-7-2-4-8(5-3-7)10-12-9(6-15-10)11(13)14/h2-6H,1H3,(H,13,14)
2 InChIKey InChI 1.03 MTVWIZYQYPRZGZ-UHFFFAOYSA-N
3 SMILES ACDLabs 12.01 O=C(O)c1nc(sc1)c2ccc(cc2)C
4 SMILES CACTVS 3.370 Cc1ccc(cc1)c2scc(n2)C(O)=O
5 SMILES OpenEye OEToolkits 1.7.6 Cc1ccc(cc1)c2nc(cs2)C(=O)O
6 Canonical SMILES CACTVS 3.370 Cc1ccc(cc1)c2scc(n2)C(O)=O
7 Canonical SMILES OpenEye OEToolkits 1.7.6 Cc1ccc(cc1)c2nc(cs2)C(=O)O