Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : T4Z    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C11H14ClNOS2/c12-9-2-4-10(5-3-9)16-8-11(14)13-6-1-7-15/h2-5,15H,1,6-8H2,(H,13,14)
2 InChIKey InChI 1.03 WUPWUIRPSWIHOS-UHFFFAOYSA-N
3 SMILES CACTVS 3.385 SCCCNC(=O)CSc1ccc(Cl)cc1
4 SMILES OpenEye OEToolkits 2.0.7 c1cc(ccc1SCC(=O)NCCCS)Cl
5 Canonical SMILES CACTVS 3.385 SCCCNC(=O)CSc1ccc(Cl)cc1
6 Canonical SMILES OpenEye OEToolkits 2.0.7 c1cc(ccc1SCC(=O)NCCCS)Cl