CHEBI:105315 - 2-[[[(6-methyl-2-pyridinyl)amino]-sulfanylidenemethyl]amino]-5-phenyl-3-thiophenecarboxylic acid ethyl ester

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ChEBI Name 2-[[[(6-methyl-2-pyridinyl)amino]-sulfanylidenemethyl]amino]-5-phenyl-3-thiophenecarboxylic acid ethyl ester
ChEBI ID CHEBI:105315
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C20H19N3O2S2
Net Charge 0
Average Mass 397.517
Monoisotopic Mass 397.09187
InChI InChI=1S/C20H19N3O2S2/c1-3-25-19(24)15-12-16(14-9-5-4-6-10-14)27-18(15)23-20(26)22-17-11-7-8-13(2)21-17/h4-12H,3H2,1-2H3,(H2,21,22,23,26)
InChIKey YWWWFWKNQUIDIL-UHFFFAOYSA-N
SMILES CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)NC3=CC=CC(=N3)C
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-[[[(6-methyl-2-pyridinyl)amino]-sulfanylidenemethyl]amino]-5-phenyl-3-thiophenecarboxylic acid ethyl ester (CHEBI:105315) is a thiophenecarboxylic acid (CHEBI:48436)
Manual Xref Database
LSM-16678 LINCS
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