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CHEBI:121777 - 2-[[2-[(2-hydroxyphenyl)-oxomethoxy]-1-oxoethyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid methyl ester

ChEBI IDCHEBI:121777
ChEBI Name2-[[2-[(2-hydroxyphenyl)-oxomethoxy]-1-oxoethyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid methyl ester
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DownloadsMolfile
FormulaC20H21NO6S
Net Charge0
Average Mass403.456
Monoisotopic Mass403.10896
SMILESCOC(=O)c1c(NC(=O)COC(=O)c2ccccc2O)sc2c1CCCCC2
InChIInChI=1S/C20H21NO6S/c1-26-20(25)17-13-8-3-2-4-10-15(13)28-18(17)21-16(23)11-27-19(24)12-7-5-6-9-14(12)22/h5-7,9,22H,2-4,8,10-11H2,1H3,(H,21,23)
InChIKeyIUCLIZICDPQNIF-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
2-[[2-[(2-hydroxyphenyl)-oxomethoxy]-1-oxoethyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid methyl ester (CHEBI:121777) has functional parent salicylic acid (CHEBI:16914)
2-[[2-[(2-hydroxyphenyl)-oxomethoxy]-1-oxoethyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid methyl ester (CHEBI:121777) is a benzoate ester (CHEBI:36054)
2-[[2-[(2-hydroxyphenyl)-oxomethoxy]-1-oxoethyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid methyl ester (CHEBI:121777) is a phenols (CHEBI:33853)
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