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CHEBI:105193 - 4-[3-[[(2,5-dichloroanilino)-methyliminomethyl]thio]-2,5-dioxo-1-pyrrolidinyl]benzoic acid methyl ester

ChEBI IDCHEBI:105193
ChEBI Name4-[3-[[(2,5-dichloroanilino)-methyliminomethyl]thio]-2,5-dioxo-1-pyrrolidinyl]benzoic acid methyl ester
Stars
DownloadsMolfile
FormulaC20H17Cl2N3O4S
Net Charge0
Average Mass466.346
Monoisotopic Mass465.03168
SMILESCN=C(Nc1cc(Cl)ccc1Cl)SC1CC(=O)N(c2ccc(C(=O)OC)cc2)C1=O
InChIInChI=1S/C20H17Cl2N3O4S/c1-23-20(24-15-9-12(21)5-8-14(15)22)30-16-10-17(26)25(18(16)27)13-6-3-11(4-7-13)19(28)29-2/h3-9,16H,10H2,1-2H3,(H,23,24)
InChIKeyAFXPYHKXSBBVDU-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)
4-[3-[[(2,5-dichloroanilino)-methyliminomethyl]thio]-2,5-dioxo-1-pyrrolidinyl]benzoic acid methyl ester (CHEBI:105193) is a amidobenzoic acid (CHEBI:48470)
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LSM-16556LINCS