| PDB CCD ID: | UC4 |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C16 H18 Cl N O4 S |
| InChI: | InChI=1S/C16H18ClNO4S/c1-9(2)22-16(20)12-8-11(4-5-13(12)17)18-15(19)14-10(3)21-6-7-23-14/h4-5,8-9H,6-7H2,1-3H3,(H,18,19) |
| InChIKey: | FMQGUMRNTBJHEA-UHFFFAOYSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.341 | CC(C)OC(=O)c1cc(NC(=O)C2=C(C)OCCS2)ccc1Cl | | ACDLabs 10.04 | O=C(C=1SCCOC=1C)Nc2cc(C(=O)OC(C)C)c(Cl)cc2 | | OpenEye OEToolkits 1.5.0 | CC1=C(SCCO1)C(=O)Nc2ccc(c(c2)C(=O)OC(C)C)Cl |
|
| Name: | 1-METHYL ETHYL 1-CHLORO-5-[[(5,6DIHYDRO-2-METHYL-1,4-OXATHIIN-3-YL)CARBONYL]AMINO]BENZOATE;
UC84 |
| ChEMBL: | CHEMBL190729 |
| DrugBank: | DB08682 |
| ZINC: | ZINC000001492540 |
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