CHEBI:109751 - 2-[[acetamido(sulfanylidene)methyl]amino]-5-ethyl-3-thiophenecarboxylic acid ethyl ester

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ChEBI Name 2-[[acetamido(sulfanylidene)methyl]amino]-5-ethyl-3-thiophenecarboxylic acid ethyl ester
ChEBI ID CHEBI:109751
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C12H16N2O3S2
Net Charge 0
Average Mass 300.400
Monoisotopic Mass 300.06023
InChI InChI=1S/C12H16N2O3S2/c1-4-8-6-9(11(16)17-5-2)10(19-8)14-12(18)13-7(3)15/h6H,4-5H2,1-3H3,(H2,13,14,15,18)
InChIKey ZEEQQOSXJRSPPM-UHFFFAOYSA-N
SMILES CCC1=CC(=C(S1)NC(=S)NC(=O)C)C(=O)OCC
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-[[acetamido(sulfanylidene)methyl]amino]-5-ethyl-3-thiophenecarboxylic acid ethyl ester (CHEBI:109751) is a thiophenecarboxylic acid (CHEBI:48436)
Manual Xref Database
LSM-21179 LINCS
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