| PDB CCD ID: | 45K |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C18 H13 N3 O3 S2 |
| InChI: | InChI=1S/C18H13N3O3S2/c22-18-13(16-14(21-18)3-4-15-17(16)25-9-20-15)6-19-12-2-1-10-7-26(23,24)8-11(10)5-12/h1-6,9,19H,7-8H2,(H,21,22)/b13-6- |
| InChIKey: | DOXLZSAKRJWFJV-MLPAPPSSSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 1.7.6 | c1cc2c(cc1NC=C3c4c(ccc5c4scn5)NC3=O)CS(=O)(=O)C2 | | CACTVS 3.370 | O=C\1Nc2ccc3ncsc3c2C\1=C/Nc4ccc5C[S](=O)(=O)Cc5c4 | | OpenEye OEToolkits 1.7.6 | c1cc2c(cc1N/C=C\3/c4c(ccc5c4scn5)NC3=O)CS(=O)(=O)C2 | | CACTVS 3.370 | O=C1Nc2ccc3ncsc3c2C1=CNc4ccc5C[S](=O)(=O)Cc5c4 | | ACDLabs 12.01 | O=S2(=O)Cc1cc(ccc1C2)N\C=C3/C(=O)Nc5c3c4scnc4cc5 |
|
| Name: | (8Z)-8-{[(2,2-dioxido-1,3-dihydro-2-benzothiophen-5-yl)amino]methylidene}-6,8-dihydro-7H-[1,3]thiazolo[5,4-e]indol-7-one |
| ChEMBL: | CHEMBL391229 |
| ZINC: | ZINC000012354992 |
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