CHEBI:107792 - 1-[2-(1-oxo-2-thiophen-2-ylethoxy)ethyl]-5-[(1-oxo-2-thiophen-2-ylethyl)amino]-4-pyrazolecarboxylic acid ethyl ester

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 1-[2-(1-oxo-2-thiophen-2-ylethoxy)ethyl]-5-[(1-oxo-2-thiophen-2-ylethyl)amino]-4-pyrazolecarboxylic acid ethyl ester
ChEBI ID CHEBI:107792
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C20H21N3O5S2
Net Charge 0
Average Mass 447.531
Monoisotopic Mass 447.09226
InChI InChI=1S/C20H21N3O5S2/c1-2-27-20(26)16-13-21-23(7-8-28-18(25)12-15-6-4-10-30-15)19(16)22-17(24)11-14-5-3-9-29-14/h3-6,9-10,13H,2,7-8,11-12H2,1H3,(H,22,24)
InChIKey MAHQKZVKHHRXNA-UHFFFAOYSA-N
SMILES CCOC(=O)C1=C(N(N=C1)CCOC(=O)CC2=CC=CS2)NC(=O)CC3=CC=CS3
ChEBI Ontology
Outgoing 1-[2-(1-oxo-2-thiophen-2-ylethoxy)ethyl]-5-[(1-oxo-2-thiophen-2-ylethyl)amino]-4-pyrazolecarboxylic acid ethyl ester (CHEBI:107792) is a pyrazoles (CHEBI:26410)
Manual Xref Database
LSM-19169 LINCS
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