| PDB CCD ID: | B64 |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C14 H11 N O5 S2 |
| InChI: | InChI=1S/C14H11NO5S2/c1-20-14(19)13-8(15-11(16)4-5-12(17)18)7-10(22-13)9-3-2-6-21-9/h2-7H,1H3,(H,15,16)(H,17,18)/b5-4- |
| InChIKey: | GJODSFZNKNHKML-PLNGDYQASA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 1.5.0 | COC(=O)c1c(cc(s1)c2cccs2)NC(=O)C=CC(=O)O | | ACDLabs 10.04 | O=C(OC)c1sc(cc1NC(=O)/C=C\C(=O)O)c2sccc2 | | CACTVS 3.341 | COC(=O)c1sc(cc1NC(=O)C=CC(O)=O)c2sccc2 | | CACTVS 3.341 | COC(=O)c1sc(cc1NC(=O)\C=C/C(O)=O)c2sccc2 |
|
| Name: | 4-{[2-(methoxycarbonyl)-5-(2-thienyl)-3-thienyl]amino}-4-oxo-2-butenoic acid;
(2Z)-4-{[5-(methoxycarbonyl)-2,2'-bithiophen-4-yl]amino}-4-oxobut-2-enoic acid |
| ZINC: | ZINC000033382291 |
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