CHEBI:120505 - 2-[[2-furanyl(oxo)methyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid methyl ester

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ChEBI Name 2-[[2-furanyl(oxo)methyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid methyl ester
ChEBI ID CHEBI:120505
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C14H13NO4S
Net Charge 0
Average Mass 291.324
Monoisotopic Mass 291.05653
InChI InChI=1S/C14H13NO4S/c1-18-14(17)11-8-4-2-6-10(8)20-13(11)15-12(16)9-5-3-7-19-9/h3,5,7H,2,4,6H2,1H3,(H,15,16)
InChIKey ZMTZGWGREAHCNN-UHFFFAOYSA-N
SMILES COC(=O)C1=C(SC2=C1CCC2)NC(=O)C3=CC=CO3
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
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ChEBI Ontology
Outgoing 2-[[2-furanyl(oxo)methyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid methyl ester (CHEBI:120505) is a thiophenecarboxylic acid (CHEBI:48436)
Manual Xref Database
LSM-31948 LINCS
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