Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : G18    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C11H7NOS/c13-10-8-4-2-1-3-7(8)9-5-6-14-11(9)12-10/h1-6H,(H,12,13)
2 InChIKey InChI 1.03 LQJVOLSLAFIXSV-UHFFFAOYSA-N
3 SMILES ACDLabs 12.01 O=C2c3c(c1c(scc1)N2)cccc3
4 SMILES CACTVS 3.385 O=C1Nc2sccc2c3ccccc13
5 SMILES OpenEye OEToolkits 1.9.2 c1ccc2c(c1)-c3ccsc3NC2=O
6 Canonical SMILES CACTVS 3.385 O=C1Nc2sccc2c3ccccc13
7 Canonical SMILES OpenEye OEToolkits 1.9.2 c1ccc2c(c1)-c3ccsc3NC2=O