| PDB CCD ID: | S26 |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C18 H13 Cl N2 O4 S2 |
| InChI: | InChI=1S/C18H13ClN2O4S2/c1-2-25-17(24)13-14(11-4-3-7-26-11)21(16(23)15(13)22)18-20-10-6-5-9(19)8-12(10)27-18/h3-8,14,22H,2H2,1H3/t14-/m1/s1 |
| InChIKey: | PKERYICWLBJVFG-CQSZACIVSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.385 | CCOC(=O)C1=C(O)C(=O)N([C@@H]1c2sccc2)c3sc4cc(Cl)ccc4n3 | | OpenEye OEToolkits 2.0.6 | CCOC(=O)C1=C(C(=O)N(C1c2cccs2)c3nc4ccc(cc4s3)Cl)O | | OpenEye OEToolkits 2.0.6 | CCOC(=O)C1=C(C(=O)N([C@@H]1c2cccs2)c3nc4ccc(cc4s3)Cl)O | | CACTVS 3.385 | CCOC(=O)C1=C(O)C(=O)N([CH]1c2sccc2)c3sc4cc(Cl)ccc4n3 |
|
| Name: | ethyl (2~{S})-1-(6-chloranyl-1,3-benzothiazol-2-yl)-4-oxidanyl-5-oxidanylidene-2-thiophen-2-yl-2~{H}-pyrrole-3-carboxylate;
PS267 |
| ZINC: | ZINC000584905673 |
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