CHEBI:116458 - 4-[[2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]benzoic acid ethyl ester

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ChEBI Name 4-[[2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]benzoic acid ethyl ester ChEBI ID CHEBI:116458 Stars This entity has been manually annotated by a third party. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C18H18N4O3S2 Net Charge 0 Average Mass 402.493 Monoisotopic Mass 402.08203 InChI InChI=1S/C18H18N4O3S2/c1-3-25-17(24)12-6-8-13(9-7-12)19-15(23)11-27-18-21-20-16(22(18)2)14-5-4-10-26-14/h4-10H,3,11H2,1-2H3,(H,19,23) InChIKey YKBCCEUTWLIFOK-UHFFFAOYSA-N SMILES CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C)C3=CC=CS3 Roles Classification Chemical Role(s): Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid ) View more via ChEBI Ontology ChEBI Ontology Outgoing 4-[[2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]benzoic acid ethyl ester (CHEBI:116458) is a amidobenzoic acid (CHEBI:48470) Manual Xref Database LSM-27912 LINCS View more database links