PDB CCD ID: | GDY |
Number of entries in BioLiP: | 1 |
Chemical formula: | C16 H13 N O3 S2 |
InChI: | InChI=1S/C16H13NO3S2/c18-15-14(22-16(19)17-15)10-11-3-5-12(6-4-11)20-8-7-13-2-1-9-21-13/h1-6,9-10H,7-8H2,(H,17,18,19) |
InChIKey: | NTKWOUHXDKSPIX-UHFFFAOYSA-N |
SMILES: | Software | SMILES |
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CACTVS 3.385 | O=C1NC(=O)/C(S1)=C/c2ccc(OCCc3sccc3)cc2 | CACTVS 3.385 | O=C1NC(=O)C(S1)=Cc2ccc(OCCc3sccc3)cc2 | ACDLabs 12.01 | c1cc(ccc1OCCc2cccs2)[C@H]=C3C(NC(=O)S3)=O | OpenEye OEToolkits 2.0.6 | c1cc(sc1)CCOc2ccc(cc2)C=C3C(=O)NC(=O)S3 |
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Name: | (5Z)-5-({4-[2-(thiophen-2-yl)ethoxy]phenyl}methylidene)-1,3-thiazolidine-2,4-dione |