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CHEBI:121989 - 2-(2-furanylmethylamino)benzoic acid [2-[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl] ester

ChEBI IDCHEBI:121989
ChEBI Name2-(2-furanylmethylamino)benzoic acid [2-[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl] ester
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DownloadsMolfile
FormulaC24H23N3O4S
Net Charge0
Average Mass449.532
Monoisotopic Mass449.14093
SMILESCC1CCc2c(sc(NC(=O)COC(=O)c3ccccc3NCc3ccco3)c2C#N)C1
InChIInChI=1S/C24H23N3O4S/c1-15-8-9-17-19(12-25)23(32-21(17)11-15)27-22(28)14-31-24(29)18-6-2-3-7-20(18)26-13-16-5-4-10-30-16/h2-7,10,15,26H,8-9,11,13-14H2,1H3,(H,27,28)
InChIKeySDBYKVFCYXCLGP-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
2-(2-furanylmethylamino)benzoic acid [2-[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl] ester (CHEBI:121989) is a benzoate ester (CHEBI:36054)
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