PDB CCD ID: | C0W |
Number of entries in BioLiP: | 1 |
Chemical formula: | C11 H8 O2 S2 |
InChI: | InChI=1S/C11H8O2S2/c12-11(13)9(14)5-7-6-15-10-4-2-1-3-8(7)10/h1-6,14H,(H,12,13)/b9-5- |
InChIKey: | RAMCKYVBVNEIFT-UITAMQMPSA-N |
SMILES: | Software | SMILES |
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CACTVS 3.385 | OC(=O)C(S)=Cc1csc2ccccc12 | OpenEye OEToolkits 2.0.6 | c1ccc2c(c1)c(cs2)C=C(C(=O)O)S | OpenEye OEToolkits 2.0.6 | c1ccc2c(c1)c(cs2)/C=C(/C(=O)O)\S | CACTVS 3.385 | OC(=O)\C(S)=C\c1csc2ccccc12 |
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Name: | (~{Z})-3-(1-benzothiophen-3-yl)-2-sulfanyl-prop-2-enoic acid |
ChEMBL: | CHEMBL4126927 |