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CHEBI:114485 - 4-methylbenzoic acid [6-[[[5-[[cyclopropyl(oxo)methyl]amino]-1,3,4-thiadiazol-2-yl]thio]methyl]-4-oxo-3-pyranyl] ester

ChEBI IDCHEBI:114485
ChEBI Name4-methylbenzoic acid [6-[[[5-[[cyclopropyl(oxo)methyl]amino]-1,3,4-thiadiazol-2-yl]thio]methyl]-4-oxo-3-pyranyl] ester
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DownloadsMolfile
FormulaC20H17N3O5S2
Net Charge0
Average Mass443.506
Monoisotopic Mass443.06096
SMILESCc1ccc(C(=O)Oc2coc(CSc3nnc(NC(=O)C4CC4)s3)cc2=O)cc1
InChIInChI=1S/C20H17N3O5S2/c1-11-2-4-13(5-3-11)18(26)28-16-9-27-14(8-15(16)24)10-29-20-23-22-19(30-20)21-17(25)12-6-7-12/h2-5,8-9,12H,6-7,10H2,1H3,(H,21,22,25)
InChIKeyNHDDLLUQIKTIAC-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
4-methylbenzoic acid [6-[[[5-[[cyclopropyl(oxo)methyl]amino]-1,3,4-thiadiazol-2-yl]thio]methyl]-4-oxo-3-pyranyl] ester (CHEBI:114485) is a benzoate ester (CHEBI:36054)
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LSM-25946LINCS