CHEBI:109759 - 5-methyl-4-(4-methylphenyl)-2-[[2-[(1-methyl-5-tetrazolyl)thio]-1-oxoethyl]amino]-3-thiophenecarboxylic acid ethyl ester

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ChEBI Name 5-methyl-4-(4-methylphenyl)-2-[[2-[(1-methyl-5-tetrazolyl)thio]-1-oxoethyl]amino]-3-thiophenecarboxylic acid ethyl ester
ChEBI ID CHEBI:109759
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C19H21N5O3S2
Net Charge 0
Average Mass 431.535
Monoisotopic Mass 431.10858
InChI InChI=1S/C19H21N5O3S2/c1-5-27-18(26)16-15(13-8-6-11(2)7-9-13)12(3)29-17(16)20-14(25)10-28-19-21-22-23-24(19)4/h6-9H,5,10H2,1-4H3,(H,20,25)
InChIKey GROXOIPUBSRSOA-UHFFFAOYSA-N
SMILES CCOC(=O)C1=C(SC(=C1C2=CC=C(C=C2)C)C)NC(=O)CSC3=NN=NN3C
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 5-methyl-4-(4-methylphenyl)-2-[[2-[(1-methyl-5-tetrazolyl)thio]-1-oxoethyl]amino]-3-thiophenecarboxylic acid ethyl ester (CHEBI:109759) is a thiophenecarboxylic acid (CHEBI:48436)
Manual Xref Database
LSM-21187 LINCS
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