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CHEBI:113119 - 2-[[oxo(thiophen-2-yl)methyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid propan-2-yl ester

ChEBI IDCHEBI:113119
ChEBI Name2-[[oxo(thiophen-2-yl)methyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid propan-2-yl ester
Stars
Last Modified9 March 2018
DownloadsMolfile
FormulaC17H19NO3S2
Net Charge0
Average Mass349.477
Monoisotopic Mass349.08064
SMILESCC(C)OC(=O)c1c(NC(=O)c2cccs2)sc2c1CCCC2
InChIInChI=1S/C17H19NO3S2/c1-10(2)21-17(20)14-11-6-3-4-7-12(11)23-16(14)18-15(19)13-8-5-9-22-13/h5,8-10H,3-4,6-7H2,1-2H3,(H,18,19)
InChIKeyXPFCNMQJNPXHKD-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
2-[[oxo(thiophen-2-yl)methyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid propan-2-yl ester (CHEBI:113119) is a aromatic amide (CHEBI:62733)
2-[[oxo(thiophen-2-yl)methyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid propan-2-yl ester (CHEBI:113119) is a isopropyl ester (CHEBI:35725)
2-[[oxo(thiophen-2-yl)methyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid propan-2-yl ester (CHEBI:113119) is a secondary carboxamide (CHEBI:140325)
2-[[oxo(thiophen-2-yl)methyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid propan-2-yl ester (CHEBI:113119) is a thiophenes (CHEBI:26961)
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