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

ChEBI IDCHEBI:109759
ChEBI Name5-methyl-4-(4-methylphenyl)-2-[[2-[(1-methyl-5-tetrazolyl)thio]-1-oxoethyl]amino]-3-thiophenecarboxylic acid ethyl ester
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FormulaC19H21N5O3S2
Net Charge0
Average Mass431.543
Monoisotopic Mass431.10858
SMILESCCOC(=O)c1c(NC(=O)CSc2nnnn2C)sc(C)c1-c1ccc(C)cc1
InChIInChI=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)
InChIKeyGROXOIPUBSRSOA-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
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 XrefsDatabases
LSM-21187LINCS